5 /* version 3.6. (c) Copyright 1993-2004 by the University of Washington.
6 Written by Joseph Felsenstein, Lucas Mix, Akiko Fuseki, Sean Lamont,
7 Andrew Keeffe, Dan Fineman, and Patrick Colacurcio.
8 Permission is granted to copy and use this program provided no fee is
9 charged for it and provided that this copyright notice is not removed. */
12 typedef long vall[maxcategs];
13 typedef double contribarr[maxcategs];
16 /* function prototypes */
17 void init_protmats(void);
18 void getoptions(void);
19 void makeprotfreqs(void);
22 void inputoptions(void);
23 void input_protdata(long);
24 void makeweights(void);
25 void prot_makevalues(long, pointarray, long, long, sequence, steptr);
26 void prot_inittable(void);
28 void alloc_pmatrix(long);
30 void inittravtree(node *);
31 void prot_nuview(node *);
32 void prot_slopecurv(node *, double, double *, double *, double *);
33 void makenewv(node *);
36 void make_pmatrix(double **, double **, double **, long, double,
37 double, double *, double **);
38 double prot_evaluate(node *, boolean);
40 void treevaluate(void);
41 void promlcopy(tree *, tree *, long, long);
42 void proml_re_move(node **, node **);
43 void insert_(node *, node *, boolean);
44 void addtraverse(node *, node *, boolean);
45 void rearrange(node *, node *);
46 void proml_coordinates(node *, double, long *, double *);
47 void proml_printree(void);
48 void sigma(node *, double *, double *, double *);
49 void describe(node *);
51 void prot_reconstr(node *, long);
52 void rectrav(node *, long, long);
54 void initpromlnode(node **, node **, node *, long, long, long *, long *,
55 initops, pointarray, pointarray, Char *, Char *, FILE *);
56 void dnaml_treeout(node *);
57 void buildnewtip(long, tree *);
58 void buildsimpletree(tree *);
59 void free_all_protx (long, pointarray);
62 void globrearrange(void);
63 void proml_unroot(node* root, node** nodep, long nonodes) ;
64 void reallocsites(void);
65 void prot_freetable(void);
66 void free_pmatrix(long sib);
67 void alloclrsaves(void);
68 void freelrsaves(void);
69 void resetlrsaves(void);
70 /* function prototypes */
78 Char infilename[100], outfilename[100], intreename[100], outtreename[100],
79 catfilename[100], weightfilename[100];
80 double *rate, *rrate, *probcat;
81 long nonodes2, sites, weightsum, categs,
82 datasets, ith, njumble, jumb;
83 long inseed, inseed0, parens;
84 boolean global, jumble, weights, trout, usertree, inserting = false,
85 ctgry, rctgry, auto_, hypstate, progress, mulsets, justwts, firstset,
86 improve, smoothit, polishing, lngths, gama, invar, usepmb, usepam, usejtt;
87 tree curtree, bestree, bestree2, priortree;
88 node *qwhere, *grbg, *addwhere;
89 double cv, alpha, lambda, invarfrac, bestyet;
92 contribarr *contribution, like, nulike, clai;
93 double **term, **slopeterm, **curveterm;
96 char aachar[26]="ARNDCQEGHILKMFPSTWYVBZX?*-";
99 /* Local variables for maketree, propagated globally for c version: */
100 long k, nextsp, numtrees, maxwhich, mx, mx0, mx1, shimotrees;
101 double dummy, maxlogl;
102 boolean succeeded, smoothed;
111 /* Variables introduced to allow for protein probability calculations */
112 long max_num_sibs; /* maximum number of siblings used in a */
113 /* nuview calculation. determines size */
114 /* final size of pmatrices */
115 double *eigmat; /* eig matrix variable */
116 double **probmat; /* prob matrix variable */
117 double ****dpmatrix; /* derivative of pmatrix */
118 double ****ddpmatrix; /* derivative of xpmatrix */
119 double *****pmatrices; /* matrix of probabilities of protien */
120 /* conversion. The 5 subscripts refer */
121 /* to sibs, rcategs, categs, final and */
122 /* initial states, respectively. */
123 double freqaa[20]; /* amino acid frequencies */
125 /* this JTT matrix decomposition thanks to Elisabeth Tillier */
126 static double jtteigmat[] =
127 {0.0, -0.7031123, -0.6484345, -0.6086499, -0.5514432,
128 -0.772664, -0.8643413, -1.0620756, -0.9965552, -1.1671808,
129 -1.2222418,-0.4589201, -1.3103714, -1.4048038, -0.3170582,
130 -0.347935, -1.5311677, -1.6021194, -1.7991454, -1.8911888};
132 static double jttprobmat[20][20] =
133 {{0.076999996, 0.051000003, 0.043000004, 0.051999998, 0.019999996, 0.041,
134 0.061999994, 0.073999997, 0.022999999, 0.052000004, 0.090999997, 0.058999988,
135 0.024000007, 0.04, 0.050999992, 0.069, 0.059000006, 0.014000008, 0.032000004,
137 {0.015604455, -0.068062363, 0.020106264, 0.070723273, 0.011702977, 0.009674053,
138 0.074000798, -0.169750458, 0.005560808, -0.008208636, -0.012305869,
139 -0.063730179, -0.005674643, -0.02116828, 0.104586169, 0.016480839, 0.016765139,
140 0.005936994, 0.006046367, -0.0082877},
141 {-0.049778281, -0.007118197, 0.003801272, 0.070749616, 0.047506147,
142 0.006447017, 0.090522425, -0.053620432, -0.008508175, 0.037170603,
143 0.051805545, 0.015413608, 0.019939916, -0.008431976, -0.143511376,
144 -0.052486072, -0.032116542, -0.000860626, -0.02535993, 0.03843545},
145 {-0.028906423, 0.092952047, -0.009615343, -0.067870117, 0.031970392,
146 0.048338335, -0.054396304, -0.135916654, 0.017780083, 0.000129242,
147 0.031267424, 0.116333586, 0.007499746, -0.032153596, 0.033517051,
148 -0.013719269, -0.00347293, -0.003291821, -0.02158326, -0.008862168},
149 {0.037181176, -0.023106564, -0.004482225, -0.029899635, 0.118139633,
150 -0.032298569, -0.04683198, 0.05566988, -0.012622847, 0.002023096,
151 -0.043921088, -0.04792557, -0.003452711, -0.037744513, 0.020822974,
152 0.036580187, 0.02331425, -0.004807711, -0.017504496, 0.01086673},
153 {0.044754061, -0.002503471, 0.019452517, -0.015611487, -0.02152807,
154 -0.013131425, -0.03465365, -0.047928912, 0.020608851, 0.067843095,
155 -0.122130014, 0.002521499, 0.013021646, -0.082891087, -0.061590119,
156 0.016270856, 0.051468938, 0.002079063, 0.081019713, 0.082927944},
157 {0.058917882, 0.007320741, 0.025278141, 0.000357541, -0.002831285,
158 -0.032453034, -0.010177288, -0.069447924, -0.034467324, 0.011422358,
159 -0.128478324, 0.04309667, -0.015319944, 0.113302422, -0.035052393,
160 0.046885372, 0.06185183, 0.00175743, -0.06224497, 0.020282093},
161 {-0.014562092, 0.022522921, -0.007094389, 0.03480089, -0.000326144,
162 -0.124039037, 0.020577906, -0.005056454, -0.081841576, -0.004381786,
163 0.030826152, 0.091261631, 0.008878828, -0.02829487, 0.042718836,
164 -0.011180886, -0.012719227, -0.000753926, 0.048062375, -0.009399129},
165 {0.033789571, -0.013512235, 0.088010984, 0.017580292, -0.006608005,
166 -0.037836971, -0.061344686, -0.034268357, 0.018190209, -0.068484614,
167 0.120024744, -0.00319321, -0.001349477, -0.03000546, -0.073063759,
168 0.081912399, 0.0635245, 0.000197, -0.002481798, -0.09108114},
169 {-0.113947615, 0.019230545, 0.088819683, 0.064832765, 0.001801467,
170 -0.063829682, -0.072001633, 0.018429333, 0.057465965, 0.043901014,
171 -0.048050874, -0.001705918, 0.022637173, 0.017404665, 0.043877902,
172 -0.017089594, -0.058489485, 0.000127498, -0.029357194, 0.025943972},
173 {0.01512923, 0.023603725, 0.006681954, 0.012360216, -0.000181447,
174 -0.023011838, -0.008960024, -0.008533239, 0.012569835, 0.03216118,
175 0.061986403, -0.001919083, -0.1400832, -0.010669741, -0.003919454,
176 -0.003707024, -0.026806029, -0.000611603, -0.001402648, 0.065312824},
177 {-0.036405351, 0.020816769, 0.011408213, 0.019787053, 0.038897829,
178 0.017641789, 0.020858533, -0.006067252, 0.028617353, -0.064259496,
179 -0.081676567, 0.024421823, -0.028751676, 0.07095096, -0.024199434,
180 -0.007513119, -0.028108766, -0.01198095, 0.111761119, -0.076198809},
181 {0.060831772, 0.144097327, -0.069151377, 0.023754576, -0.003322955,
182 -0.071618574, 0.03353154, -0.02795295, 0.039519769, -0.023453968,
183 -0.000630308, -0.098024591, 0.017672997, 0.003813378, -0.009266499,
184 -0.011192111, 0.016013873, -0.002072968, -0.010022044, -0.012526904},
185 {-0.050776604, 0.092833081, 0.044069596, 0.050523021, -0.002628417,
186 0.076542572, -0.06388631, -0.00854892, -0.084725311, 0.017401063,
187 -0.006262541, -0.094457679, -0.002818678, -0.0044122, -0.002883973,
188 0.028729685, -0.004961596, -0.001498627, 0.017994575, -0.000232779},
189 {-0.01894566, -0.007760205, -0.015160993, -0.027254587, 0.009800903,
190 -0.013443561, -0.032896517, -0.022734138, -0.001983861, 0.00256111,
191 0.024823166, -0.021256768, 0.001980052, 0.028136263, -0.012364384,
192 -0.013782446, -0.013061091, 0.111173981, 0.021702122, 0.00046654},
193 {-0.009444193, -0.042106824, -0.02535015, -0.055125574, 0.006369612,
194 -0.02945416, -0.069922064, -0.067221068, -0.003004999, 0.053624311,
195 0.128862984, -0.057245803, 0.025550508, 0.087741073, -0.001119043,
196 -0.012036202, -0.000913488, -0.034864475, 0.050124813, 0.055534723},
197 {0.145782464, -0.024348311, -0.031216873, 0.106174443, 0.00202862,
198 0.02653866, -0.113657267, -0.00755018, 0.000307232, -0.051241158,
199 0.001310685, 0.035275877, 0.013308898, 0.002957626, -0.002925034,
200 -0.065362319, -0.071844582, 0.000475894, -0.000112419, 0.034097762},
201 {0.079840455, 0.018769331, 0.078685899, -0.084329807, -0.00277264,
202 -0.010099754, 0.059700608, -0.019209715, -0.010442992, -0.042100476,
203 -0.006020556, -0.023061786, 0.017246106, -0.001572858, -0.006703785,
204 0.056301316, -0.156787357, -0.000303638, 0.001498195, 0.051363455},
205 {0.049628261, 0.016475144, 0.094141653, -0.04444633, 0.005206131,
206 -0.001827555, 0.02195624, 0.013066683, -0.010415582, -0.022338403,
207 0.007837197, -0.023397671, -0.002507095, 0.005177694, 0.017109561,
208 -0.202340113, 0.069681441, 0.000120736, 0.002201146, 0.004670849},
209 {0.089153689, 0.000233354, 0.010826822, -0.004273519, 0.001440618,
210 0.000436077, 0.001182351, -0.002255508, -0.000700465, 0.150589876,
211 -0.003911914, -0.00050154, -0.004564983, 0.00012701, -0.001486973,
212 -0.018902754, -0.054748555, 0.000217377, -0.000319302, -0.162541651}};
214 /* this PMB matrix decomposition due to Elisabeth Tillier */
215 static double pmbeigmat[20] =
216 {0.0000001586972220,-1.8416770496147100, -1.6025046986139100,-1.5801012515121300,
217 -1.4987794099715900,-1.3520794233801900,-1.3003469390479700,-1.2439503327631300,
218 -1.1962574080244200,-1.1383730501367500,-1.1153278910708000,-0.4934843510654760,
219 -0.5419014550215590,-0.9657997830826700,-0.6276075673757390,-0.6675927795018510,
220 -0.6932641383465870,-0.8897872681859630,-0.8382698977371710,-0.8074694642446040};
222 static double pmbprobmat[20][20] =
223 {{0.0771762457248147,0.0531913844998640,0.0393445076407294,0.0466756566755510,
224 0.0286348361997465,0.0312327748383639,0.0505410248721427,0.0767106611472993,
225 0.0258916271688597,0.0673140562194124,0.0965705469252199,0.0515979465932174,
226 0.0250628079438675,0.0503492018628350,0.0399908189418273,0.0641898881894471,
227 0.0517539616710987,0.0143507440546115,0.0357994592438322,0.0736218495862984},
228 {0.0368263046116572,-0.0006728917107827,0.0008590805287740,-0.0002764255356960,
229 0.0020152937187455,0.0055743720652960,0.0003213317669367,0.0000449190281568,
230 -0.0004226254397134,0.1805040629634510,-0.0272246813586204,0.0005904606533477,
231 -0.0183743200073889,-0.0009194625608688,0.0008173657533167,-0.0262629806302238,
232 0.0265738757209787,0.0002176606241904,0.0021315644838566,-0.1823229927207580},
233 {-0.0194800075560895,0.0012068088610652,-0.0008803318319596,-0.0016044273960017,
234 -0.0002938633803197,-0.0535796754602196,0.0155163896648621,-0.0015006360762140,
235 0.0021601372013703,0.0268513218744797,-0.1085292493742730,0.0149753083138452,
236 0.1346457366717310,-0.0009371698759829,0.0013501708044116,0.0346352293103622,
237 -0.0276963770242276,0.0003643142783940,0.0002074817333067,-0.0174108903914110},
238 {0.0557839400850153,0.0023271577185437,0.0183481103396687,0.0023339480096311,
239 0.0002013267015151,-0.0227406863569852,0.0098644845475047,0.0064721276774396,
240 0.0001389408104210,-0.0473713878768274,-0.0086984445005797,0.0026913674934634,
241 0.0283724052562196,0.0001063665179457,0.0027442574779383,-0.1875312134708470,
242 0.1279864877057640,0.0005103347834563,0.0003155113168637,0.0081451082759554},
243 {0.0037510125027265,0.0107095920636885,0.0147305410328404,-0.0112351252180332,
244 -0.0001500408626446,-0.1523450933729730,0.0611532413339872,-0.0005496748939503,
245 0.0048714378736644,-0.0003826320053999,0.0552010244407311,0.0482555671001955,
246 -0.0461664995115847,-0.0021165008617978,-0.0004574454232187,0.0233755883688949,
247 -0.0035484915422384,0.0009090698422851,0.0013840637687758,-0.0073895139302231},
248 {-0.0111512564930024,0.1025460064723080,0.0396772456883791,-0.0298408501361294,
249 -0.0001656742634733,-0.0079876311843289,0.0712644184507945,-0.0010780604625230,
250 -0.0035880882043592,0.0021070399334252,0.0016716329894279,-0.1810123023850110,
251 0.0015141703608724,-0.0032700852781804,0.0035503782441679,0.0118634302028026,
252 0.0044561606458028,-0.0001576678495964,0.0023470722225751,-0.0027457045397157},
253 {0.1474525743949170,-0.0054432538500293,0.0853848892349828,-0.0137787746207348,
254 -0.0008274830358513,0.0042248844582553,0.0019556229305563,-0.0164191435175148,
255 -0.0024501858854849,0.0120908948084233,-0.0381456105972653,0.0101271614855119,
256 -0.0061945941321859,0.0178841099895867,-0.0014577779202600,-0.0752120602555032,
257 -0.1426985695849920,0.0002862275078983,-0.0081191734261838,0.0313401149422531},
258 {0.0542034611735289,-0.0078763926211829,0.0060433542506096,0.0033396210615510,
259 0.0013965072374079,0.0067798903832256,-0.0135291136622509,-0.0089982442731848,
260 -0.0056744537593887,-0.0766524225176246,0.1881210263933930,-0.0065875518675173,
261 0.0416627569300375,-0.0953804133524747,-0.0012559228448735,0.0101622644292547,
262 -0.0304742453119050,0.0011702318499737,0.0454733434783982,-0.1119239362388150},
263 {0.1069409037912470,0.0805064400880297,-0.1127352030714600,0.1001181253523260,
264 -0.0021480427488769,-0.0332884841459003,-0.0679837575848452,-0.0043812841356657,
265 0.0153418716846395,-0.0079441315103188,-0.0121766182046363,-0.0381127991037620,
266 -0.0036338726532673,0.0195324059593791,-0.0020165963699984,-0.0061222685010268,
267 -0.0253761448771437,-0.0005246410999057,-0.0112205170502433,0.0052248485517237},
268 {-0.0325247648326262,0.0238753651653669,0.0203684886605797,0.0295666232678825,
269 -0.0003946714764213,-0.0157242718469554,-0.0511737848084862,0.0084725632040180,
270 -0.0167068828528921,0.0686962159427527,-0.0659702890616198,-0.0014289912494271,
271 -0.0167000964093416,-0.1276689083678200,0.0036575057830967,-0.0205958145531018,
272 0.0000368919612829,0.0014413626622426,0.1064360941926030,0.0863372661517408},
273 {-0.0463777468104402,0.0394712148670596,0.1118686750747160,0.0440711686389031,
274 -0.0026076286506751,-0.0268454015202516,-0.1464943067133240,-0.0137514051835380,
275 -0.0094395514284145,-0.0144124844774228,0.0249103379323744,-0.0071832157138676,
276 0.0035592787728526,0.0415627419826693,0.0027040097365669,0.0337523666612066,
277 0.0316121324137152,-0.0011350177559026,-0.0349998884574440,-0.0302651879823361},
278 {0.0142360925194728,0.0413145623127025,0.0324976427846929,0.0580930922002398,
279 -0.0586974207121084,0.0202001168873069,0.0492204086749069,0.1126593173463060,
280 0.0116620013776662,-0.0780333711712066,-0.1109786767320410,0.0407775100936731,
281 -0.0205013161312652,-0.0653458585025237,0.0347351829703865,0.0304448983224773,
282 0.0068813748197884,-0.0189002309261882,-0.0334507528405279,-0.0668143558699485},
283 {-0.0131548829657936,0.0044244322828034,-0.0050639951827271,-0.0038668197633889,
284 -0.1536822386530220,0.0026336969165336,0.0021585651200470,-0.0459233839062969,
285 0.0046854727140565,0.0393815434593599,0.0619554007991097,0.0027456299925622,
286 0.0117574347936383,0.0373018612990383,0.0024818527553328,-0.0133956606027299,
287 -0.0020457128424105,0.0154178819990401,0.0246524142683911,0.0275363065682921},
288 {-0.1542307272455030,0.0364861558267547,-0.0090880407008181,0.0531673937889863,
289 0.0157585615170580,0.0029986538457297,0.0180194047699875,0.0652152443589317,
290 0.0266842840376180,0.0388457366405908,0.0856237634510719,0.0126955778952183,
291 0.0099593861698250,-0.0013941794862563,0.0294065511237513,-0.1151906949298290,
292 -0.0852991447389655,0.0028699120202636,-0.0332087026659522,0.0006811857297899},
293 {0.0281300736924501,-0.0584072081898638,-0.0178386569847853,-0.0536470338171487,
294 -0.0186881656029960,-0.0240008730656106,-0.0541064820498883,0.2217137098936020,
295 -0.0260500001542033,0.0234505236798375,0.0311127151218573,-0.0494139126682672,
296 0.0057093465049849,0.0124937286655911,-0.0298322975915689,0.0006520211333102,
297 -0.0061018680727128,-0.0007081999479528,-0.0060523759094034,0.0215845995364623},
298 {0.0295321046399105,-0.0088296411830544,-0.0065057049917325,-0.0053478115612781,
299 -0.0100646496794634,-0.0015473619084872,0.0008539960632865,-0.0376381933046211,
300 -0.0328135588935604,0.0672161874239480,0.0667626853916552,-0.0026511651464901,
301 0.0140451514222062,-0.0544836996133137,0.0427485157912094,0.0097455780205802,
302 0.0177309072915667,-0.0828759701187452,-0.0729504795471370,0.0670731961252313},
303 {0.0082646581043963,-0.0319918630534466,-0.0188454445200422,-0.0374976353856606,
304 0.0037131290686848,-0.0132507796987883,-0.0306958830735725,-0.0044119395527308,
305 -0.0140786756619672,-0.0180512599925078,-0.0208243802903953,-0.0232202769398931,
306 -0.0063135878270273,0.0110442171178168,0.1824538048228460,-0.0006644614422758,
307 -0.0069909097436659,0.0255407650654681,0.0099119399501151,-0.0140911517070698},
308 {0.0261344441524861,-0.0714454044548650,0.0159436926233439,0.0028462736216688,
309 -0.0044572637889080,-0.0089474834434532,-0.0177570282144517,-0.0153693244094452,
310 0.1160919467206400,0.0304911481385036,0.0047047513411774,-0.0456535116423972,
311 0.0004491494948617,-0.0767108879444462,-0.0012688533741441,0.0192445965934123,
312 0.0202321954782039,0.0281039933233607,-0.0590403018490048,0.0364080426546883},
313 {0.0115826306265004,0.1340228176509380,-0.0236200652949049,-0.1284484655137340,
314 -0.0004742338006503,0.0127617346949511,-0.0428560878860394,0.0060030732454125,
315 0.0089182609926781,0.0085353834972860,0.0048464809638033,0.0709740071429510,
316 0.0029940462557054,-0.0483434904493132,-0.0071713680727884,-0.0036840391887209,
317 0.0031454003250096,0.0246243550241551,-0.0449551277644180,0.0111449232769393},
318 {0.0140356721886765,-0.0196518236826680,0.0030517022326582,0.0582672093364850,
319 -0.0000973895685457,0.0021704767224292,0.0341806268602705,-0.0152035987563018,
320 -0.0903198657739177,0.0259623214586925,0.0155832497882743,-0.0040543568451651,
321 0.0036477631918247,-0.0532892744763217,-0.0142569373662724,0.0104500681408622,
322 0.0103483945857315,0.0679534422398752,-0.0768068882938636,0.0280289727046158}}
326 static double pameigmat[] = {0.0, -0.2350753691875762, -0.2701991863800379,
327 -0.2931612442853115, -0.4262492032364507, -0.5395980482561625,
328 -0.7141172690079523, -0.7392844756151318, -0.7781761342200766,
329 -0.810032066366362, -0.875299712761124, -1.048227332164386,
330 -1.109594097332267, -1.298616073142234, -1.342036228188581,
331 -1.552599145527578, -1.658762802054814, -1.74893445623765,
332 -1.933280832903272, -2.206353522613025};
334 static double pamprobmat[20][20] =
335 {{0.087683339901135, 0.04051291829598762, 0.04087846315185977,
336 0.04771603459744777, 0.03247095396561266, 0.03784612688594957,
337 0.0504933695604875, 0.0898249006830755, 0.03285885059543713,
338 0.0357514442352119, 0.0852464099207521, 0.07910313444070642,
339 0.01488243946396588, 0.04100101908956829, 0.05158026947089499,
340 0.06975497205982451, 0.05832757042475474, 0.00931264523877807,
341 0.03171540880870517, 0.06303972920984541},
342 {0.01943453646811026, -0.004492574160484092, 0.007694891061220776,
343 0.01278399096887701, 0.0106157418450234, 0.007542140341575122,
344 0.01326994069032819, 0.02615565199894889, 0.003123125764490066,
345 0.002204507682495444, -0.004782898215768979, 0.01204241965177619,
346 0.0007847400096924341, -0.03043626073172116, 0.01221202591902536,
347 0.01100527004684405, 0.01116495631339549, -0.0925364931988571,
348 -0.02622065387931562, 0.00843494142432107},
349 {0.01855357100209072, 0.01493642835763868, 0.0127983090766285,
350 0.0200533250704364, -0.1681898360107787, 0.01551657969909255,
351 0.02128060163107209, 0.03100633591848964, 0.00845480845269879,
352 0.000927149370785571, 0.00937207565817036, 0.03490557769673472,
353 0.00300443019551563, -0.02590837220264415, 0.01329376859943192,
354 0.006854110889741407, 0.01102593860528263, 0.003360844186685888,
355 -0.03459712356647764, 0.003351477369404443},
356 {0.02690642688200102, 0.02131745801890152, 0.0143626616005213,
357 0.02405101425725929, 0.05041008641436849, 0.01430925051050233,
358 0.02362114036816964, 0.04688381789373886, 0.005250115453626377,
359 -0.02040112168595516, -0.0942720776915669, 0.03773004996758644,
360 -0.00822831940782616, -0.1164872809439224, 0.02286281877257392,
361 0.02849551240669926, 0.01468856796295663, 0.02377110964207936,
362 -0.094380545436577, -0.02089068498518036},
363 {0.00930172577225213, 0.01493463068441099, 0.020186920775608,
364 0.02892154953912524, -0.01224593358361567, 0.01404228329986624,
365 0.02671186617119041, 0.04537535161795231, 0.02229995804098249,
366 -0.04635704133961575, -0.1966910360247138, 0.02796648065439046,
367 -0.02263484732621436, 0.0440490503242072, 0.01148782948302166,
368 0.01989170531824069, 0.001306805142981245, -0.005676690969116321,
369 0.07680476281625202, -0.07967537039721849},
370 {0.06602274245435476, -0.0966661981471856, -0.005241648783844579,
371 0.00859135188171146, -0.007762129660943368, -0.02888965572526196,
372 0.003592291525888222, 0.1668410669287673, -0.04082039290551406,
373 0.005233775047553415, -0.01758244726137135, -0.1493955762326898,
374 -0.00855819137835548, 0.004211419253492328, 0.01929306335052688,
375 0.03008056746359405, 0.0190444422412472, 0.005577189741419315,
376 0.0000874156155112068, 0.02634091459108298},
377 {0.01933897472880726, 0.05874583569377844, -0.02293534606228405,
378 -0.07206314017962175, -0.004580681581546643, -0.0628814337610561,
379 -0.0850783812795136, 0.07988417636610614, -0.0852798990133397,
380 0.01649047166155952, -0.05416647263757423, 0.1089834536254064,
381 0.005093403979413865, 0.02520300254161142, 0.0005951431406455604,
382 0.02441251821224675, 0.02796099482240553, -0.002574933994926502,
383 -0.007172237553012804, 0.03002455129086954},
384 {0.04041118479094272, -0.002476225672095412, -0.01494505811263243,
385 -0.03759443758599911, -0.00892246902492875, -0.003634714029239211,
386 -0.03085671837973749, -0.126176309029931, 0.005814031139083794,
387 0.01313561962646063, -0.04760487162503322, -0.0490563712725484,
388 -0.005082243450421558, -0.01213634309383557, 0.1806666927079249,
389 0.02111663336185495, 0.02963486860587087, -0.0000175020101657785,
390 0.01197155383597686, 0.0357526792184636},
391 {-0.01184769557720525, 0.01582776076338872, -0.006570708266564639,
392 -0.01471915653734024, 0.00894343616503608, 0.00562664968033149,
393 -0.01465878888356943, 0.05365282692645818, 0.00893509735776116,
394 -0.05879312944436473, 0.0806048683392995, -0.007722897986905326,
395 -0.001819943882718859, 0.0942535573077267, 0.07483883782251654,
396 0.004354639673913651, -0.02828804845740341, -0.001318222184691827,
397 -0.07613149604246563, -0.1251675867732172},
398 {0.00834167031558193, -0.01509357596974962, 0.007098172811092488,
399 0.03127677418040319, 0.001992448468465455, 0.00915441566808454,
400 0.03430175973499201, -0.0730648147535803, -0.001402707145575659,
401 0.04780949194330815, -0.1115035603461273, -0.01292297197609604,
402 -0.005056270550868528, 0.1112053349612027, -0.03801929822379964,
403 -0.001191241001736563, 0.01872874622910247, 0.0005314214903865993,
404 -0.0882576318311789, 0.07607183599610171},
405 {-0.01539460099727769, 0.04988596184297883, -0.01187240760647617,
406 -0.06987843637091853, -0.002490472846497859, 0.01009857892494956,
407 -0.07473588067847209, 0.0906009925879084, 0.1243612446505172,
408 0.02152806401345371, -0.03504879644860233, -0.06680752427613573,
409 -0.005574485153629651, 0.001518282948127752, -0.01999168507510701,
410 -0.01478606199529457, -0.02203749419458996, -0.00132680708294333,
411 -0.01137505997867614, 0.05332658773667142},
412 {-0.06104378736432388, 0.0869446603393548, -0.03298331234537257,
413 0.03128515657456024, 0.003906358569208259, 0.03578694104193928,
414 0.06241936133189683, 0.06182827284921748, -0.05566564263245907,
415 0.02640868588189002, -0.01349751243059039, -0.05507866642582638,
416 -0.006671347738489326, -0.001470096466016046, 0.05185743641479938,
417 -0.07494697511168257, -0.1175185439057584, -0.001188074094105709,
418 0.00937934805737347, 0.05024773745437657},
419 {-0.07252555582124737, -0.116554459356382, 0.003605361887406413,
420 -0.00836518656029184, 0.004615715410745561, 0.005105376617651312,
421 -0.00944938657024391, 0.05602449420950007, 0.02722719610561933,
422 0.01959357494748446, -0.0258655103753962, 0.1440733975689835,
423 0.01446782819722976, 0.003718896062070054, 0.05825843045655135,
424 -0.06230154142733073, -0.07833704962300169, 0.003160836143568724,
425 -0.001169873777936648, 0.03471745590503304},
426 {-0.03204352258752698, 0.01019272923862322, 0.04509668708733181,
427 0.05756522429120813, -0.0004601149081726732, -0.0984718150777423,
428 -0.01107826100664925, -0.005680277810520585, 0.01962359392320817,
429 0.01550006899131986, 0.05143956925922197, 0.02462476682588468,
430 -0.0888843861002653, -0.00171553583659411, 0.01606331750661664,
431 0.001176847743518958, -0.02070972978912828, -0.000341523293579971,
432 -0.002654732745607882, 0.02075709428885848},
433 {0.03595199666430258, -0.02800219615234468, -0.04341570015493925,
434 -0.0748275906176658, 0.0001051403676377422, 0.1137431321746627,
435 0.005852087565974318, 0.003443037513847801, -0.02481931657706633,
436 -0.003651181839831423, 0.03195794176786321, 0.04135411406392523,
437 -0.07562030263210619, 0.001769332364699, -0.01984381173403915,
438 -0.005029750745010152, 0.02649253902476472, 0.000518085571702734,
439 0.001062936684474851, 0.01295950668914449},
440 {-0.16164552322896, -0.0006050035060464324, 0.0258380054414968,
441 0.003188424740960557, -0.0002058911341821877, 0.03157555987384681,
442 -0.01678913462596107, 0.03096216145389774, -0.0133791110666919,
443 0.1125249625204277, -0.00769017706442472, -0.02653938062180483,
444 -0.002555329863523985, -0.00861833362947954, 0.01775148884754278,
445 0.02529310679774722, 0.0826243417011238, -0.0001036728183032624,
446 0.001963562313294209, -0.0935900561309786},
447 {0.1652394174588469, -0.002814245280784351, -0.0328982001821263,
448 -0.02000104712964131, 0.0002208121995725443, -0.02733462178511839,
449 0.02648078162927627, -0.01788316626401427, 0.01630747623755998,
450 0.1053849023838147, -0.005447706553811218, 0.01810876922536839,
451 -0.001808914710282444, -0.007687912115607397, -0.01332593672114388,
452 -0.02110750894891371, -0.07456116592983384, 0.000219072589592394,
453 0.001270886972191055, -0.1083616930749109},
454 {0.02453279389716254, -0.005820072356487439, 0.100260287284095,
455 0.01277522280305745, -0.003184943445296999, 0.05814689527984152,
456 -0.0934012278200201, -0.03017986487349484, -0.03136625380994165,
457 0.00988668352785117, -0.00358900410973142, -0.02017443675004764,
458 0.000915384582922184, -0.001460963415183106, -0.01370112443251124,
459 0.1130040979284457, -0.1196161771323699, -0.0005800211204222045,
460 -0.0006153403201024954, 0.00416806428223025},
461 {-0.0778089244252535, -0.007055161182430869, -0.0349307504860869,
462 -0.0811915584276571, -0.004689825871599125, -0.03726108871471753,
463 0.1072225647141469, -0.00917015113070944, 0.01381628985996913,
464 -0.00123227881492089, 0.001815954515275675, 0.005708744099349901,
465 -0.0001448985044877925, -0.001306578795561384, -0.006992743514185243,
466 0.1744720240732789, -0.05353628497814023, -0.0007613684227234787,
467 -0.0003550282315997644, 0.01340106423804634},
468 {-0.0159527329868513, -0.007622151568160798, -0.1389875105184963,
469 0.1165051999914764, -0.002217810389087748, 0.01550003226513692,
470 -0.07427664222230566, -0.003371438498619264, 0.01385754771325365,
471 0.004759020167383304, 0.001624078805220564, 0.02011638303109029,
472 -0.001717827082842178, -0.0007424036708598594, -0.003978884451898934,
473 0.0866418927301209, -0.01280817739158123, -0.00023039242454603,
474 0.002309205802479111, 0.0005926106991001195}};
481 eigmat = (double *) Malloc (20 * sizeof(double));
482 for (l = 0; l <= 19; l++)
484 eigmat[l] = jtteigmat[l];
487 eigmat[l] = pmbeigmat[l];
489 eigmat[l] = pameigmat[l];
491 probmat = (double **) Malloc (20 * sizeof(double *));
492 for (l = 0; l <= 19; l++)
493 for (m= 0; m <= 19; m++)
495 probmat[l] = jttprobmat[l];
498 probmat[l] = pmbprobmat[l];
500 probmat[l] = pamprobmat[l];
502 } /* init_protmats */
507 /* interactively set options */
508 long i, loopcount, loopcount2;
510 boolean didchangecat, didchangercat;
513 fprintf(outfile, "\nAmino acid sequence Maximum Likelihood");
514 fprintf(outfile, " method, version %s\n\n",VERSION);
517 didchangecat = false;
519 didchangercat = false;
547 printf("Amino acid sequence Maximum Likelihood");
548 printf(" method, version %s\n\n",VERSION);
549 printf("Settings for this run:\n");
550 printf(" U Search for best tree? %s\n",
551 (usertree ? "No, use user trees in input file" : "Yes"));
553 printf(" L Use lengths from user trees? %s\n",
554 (lngths ? "Yes" : "No"));
556 printf(" P JTT, PMB or PAM probability model? %s\n",
557 usejtt ? "Jones-Taylor-Thornton" :
558 usepmb ? "Henikoff/Tillier PMB" : "Dayhoff PAM");
559 printf(" C One category of sites?");
560 if (!ctgry || categs == 1)
563 printf(" %ld categories of sites\n", categs);
564 printf(" R Rate variation among sites?");
566 printf(" constant rate of change\n");
569 printf(" Gamma distributed rates\n");
572 printf(" Gamma+Invariant sites\n");
574 printf(" user-defined HMM of rates\n");
576 printf(" A Rates at adjacent sites correlated?");
578 printf(" No, they are independent\n");
580 printf(" Yes, mean block length =%6.1f\n", 1.0 / lambda);
582 printf(" W Sites weighted? %s\n",
583 (weights ? "Yes" : "No"));
585 printf(" S Speedier but rougher analysis? %s\n",
586 (improve ? "No, not rough" : "Yes"));
587 printf(" G Global rearrangements? %s\n",
588 (global ? "Yes" : "No"));
591 printf(" J Randomize input order of sequences?");
593 printf(" Yes (seed =%8ld,%3ld times)\n", inseed0, njumble);
595 printf(" No. Use input order\n");
597 printf(" O Outgroup root? %s%3ld\n",
598 (outgropt ? "Yes, at sequence number" :
599 "No, use as outgroup species"),outgrno);
600 printf(" M Analyze multiple data sets?");
602 printf(" Yes, %2ld %s\n", datasets,
603 (justwts ? "sets of weights" : "data sets"));
606 printf(" I Input sequences interleaved? %s\n",
607 (interleaved ? "Yes" : "No, sequential"));
608 printf(" 0 Terminal type (IBM PC, ANSI, none)? %s\n",
609 (ibmpc ? "IBM PC" : ansi ? "ANSI" : "(none)"));
610 printf(" 1 Print out the data at start of run %s\n",
611 (printdata ? "Yes" : "No"));
612 printf(" 2 Print indications of progress of run %s\n",
613 (progress ? "Yes" : "No"));
614 printf(" 3 Print out tree %s\n",
615 (treeprint ? "Yes" : "No"));
616 printf(" 4 Write out trees onto tree file? %s\n",
617 (trout ? "Yes" : "No"));
618 printf(" 5 Reconstruct hypothetical sequences? %s\n",
619 (hypstate ? "Yes" : "No"));
620 printf("\n Y to accept these or type the letter for one to change\n");
622 phyFillScreenColor();
624 scanf("%c%*[^\n]", &ch);
631 if (strchr("UPLCRAWSGJOMI012345",ch) != NULL){
637 printf("\nSitewise user-assigned categories:\n\n");
642 rate = (double *) Malloc(categs * sizeof(double));
644 initcategs(categs, rate);
701 initjumble(&inseed, &inseed0, seed, &njumble);
710 outgropt = !outgropt;
712 initoutgroup(&outgrno, spp);
716 usertree = !usertree;
722 printf("Multiple data sets or multiple weights?");
725 printf(" (type D or W)\n");
727 phyFillScreenColor();
729 scanf("%c%*[^\n]", &ch2);
734 countup(&loopcount2, 10);
735 } while ((ch2 != 'W') && (ch2 != 'D'));
736 justwts = (ch2 == 'W');
738 justweights(&datasets);
740 initdatasets(&datasets);
743 initjumble(&inseed, &inseed0, seed, &njumble);
749 interleaved = !interleaved;
753 initterminal(&ibmpc, &ansi);
757 printdata = !printdata;
761 progress = !progress;
765 treeprint = !treeprint;
773 hypstate = !hypstate;
777 printf("Not a possible option!\n");
778 countup(&loopcount, 100);
784 "\nCoefficient of variation of substitution rate among sites (must be positive)\n");
786 " In gamma distribution parameters, this is 1/(square root of alpha)\n");
788 phyFillScreenColor();
790 scanf("%lf%*[^\n]", &cv);
792 countup(&loopcount, 10);
794 alpha = 1.0 / (cv * cv);
799 printf("\nRates in HMM");
801 printf(" (including one for invariant sites)");
808 probcat = (double *) Malloc(rcategs * sizeof(double));
809 rrate = (double *) Malloc(rcategs * sizeof(double));
810 didchangercat = true;
812 initgammacat(rcategs, alpha, rrate, probcat);
817 printf("Fraction of invariant sites?\n");
818 scanf("%lf%*[^\n]", &invarfrac);
820 countup (&loopcount, 10);
821 } while ((invarfrac <= 0.0) || (invarfrac >= 1.0));
822 initgammacat(rcategs-1, alpha, rrate, probcat);
823 for (i = 0; i < rcategs-1; i++)
824 probcat[i] = probcat[i]*(1.0-invarfrac);
825 probcat[rcategs-1] = invarfrac;
826 rrate[rcategs-1] = 0.0;
828 initcategs(rcategs, rrate);
829 initprobcat(rcategs, &probsum, probcat);
834 rrate = (double *) Malloc(rcategs*sizeof(double));
835 probcat = (double *) Malloc(rcategs*sizeof(double));
840 rate = (double *) Malloc(categs*sizeof(double));
849 /* calculate amino acid frequencies based on eigmat */
853 for (i = 0; i <= 19; i++)
854 if (fabs(eigmat[i]) < fabs(eigmat[mineig]))
856 memcpy(freqaa, probmat[mineig], 20 * sizeof(double));
857 for (i = 0; i <= 19; i++)
858 freqaa[i] = fabs(freqaa[i]);
859 } /* makeprotfreqs */
864 for (i = 0; i < spp; i++)
865 y[i] = (Char *) Malloc(sites*sizeof(Char));
874 category = (long *) Malloc(sites*sizeof(long));
875 weight = (long *) Malloc(sites*sizeof(long));
876 alias = (long *) Malloc(sites*sizeof(long));
877 ally = (long *) Malloc(sites*sizeof(long));
878 location = (long *) Malloc(sites*sizeof(long));
879 aliasweight = (long *) Malloc(sites*sizeof(long));
880 for (i = 0; i < sites; i++)
882 for (i = 0; i < sites; i++)
891 y = (Char **) Malloc(spp*sizeof(Char *));
892 for (i = 0; i < spp; i++)
893 y[i] = (Char *) Malloc(sites*sizeof(Char));
894 nayme = (naym *) Malloc(spp*sizeof(naym));
895 enterorder = (long *) Malloc(spp*sizeof(long));
896 category = (long *) Malloc(sites*sizeof(long));
897 weight = (long *) Malloc(sites*sizeof(long));
898 alias = (long *) Malloc(sites*sizeof(long));
899 ally = (long *) Malloc(sites*sizeof(long));
900 location = (long *) Malloc(sites*sizeof(long));
901 aliasweight = (long *) Malloc(sites*sizeof(long));
906 { /* initializes variables */
907 inputnumbers(&spp, &sites, &nonodes2, 1);
913 fprintf(outfile, "%2ld species, %3ld sites\n", spp, sites);
914 alloctree(&curtree.nodep, nonodes2, usertree);
918 alloctree(&bestree.nodep, nonodes2, 0);
919 alloctree(&priortree.nodep, nonodes2, 0);
922 alloctree(&bestree2.nodep, nonodes2, 0);
931 samenumsp(&sites, ith);
935 for (i = 0; i < sites; i++)
937 for (i = 0; i < sites; i++)
940 if (justwts || weights)
941 inputweights(sites, weight, &weights);
943 for (i = 0; i < sites; i++)
944 weightsum += weight[i];
945 if ((ctgry && categs > 1) && (firstset || !justwts)) {
946 inputcategs(0, sites, category, categs, "ProML");
948 printcategs(outfile, sites, category, "Site categories");
950 if (weights && printdata)
951 printweights(outfile, 0, sites, weight, "Sites");
952 fprintf(outfile, "%s model of amino acid change\n\n",
953 (usejtt ? "Jones-Taylor-Thornton" :
954 usepmb ? "Henikoff/Tillier PMB" : "Dayhoff PAM"));
958 void input_protdata(long chars)
960 /* input the names and sequences for each species */
962 long i, j, k, l, basesread, basesnew;
964 boolean allread, done;
967 headings(chars, "Sequences", "---------");
972 /* eat white space -- if the separator line has spaces on it*/
974 charstate = gettc(infile);
975 } while (charstate == ' ' || charstate == '\t');
976 ungetc(charstate, infile);
981 if ((interleaved && basesread == 0) || !interleaved)
983 j = (interleaved) ? basesread : 0;
985 while (!done && !eoff(infile)) {
988 while (j < chars && !(eoln(infile) || eoff(infile))) {
989 charstate = gettc(infile);
990 if (charstate == '\n' || charstate == '\t')
992 if (charstate == ' ' || (charstate >= '0' && charstate <= '9'))
994 uppercase(&charstate);
995 if ((strchr("ABCDEFGHIKLMNPQRSTVWXYZ*?-", charstate)) == NULL) {
996 printf("ERROR: bad amino acid: %c at position %ld of species %ld\n",
998 if (charstate == '.') {
999 printf(" Periods (.) may not be used as gap characters.\n");
1000 printf(" The correct gap character is (-)\n");
1005 y[i - 1][j - 1] = charstate;
1011 else if (j == chars)
1014 if (interleaved && i == 1)
1019 if ((interleaved && j != basesnew) ||
1020 (!interleaved && j != chars)) {
1021 printf("ERROR: SEQUENCES OUT OF ALIGNMENT AT POSITION %ld.\n", j);
1028 basesread = basesnew;
1029 allread = (basesread == chars);
1031 allread = (i > spp);
1035 for (i = 1; i <= ((chars - 1) / 60 + 1); i++) {
1036 for (j = 1; j <= spp; j++) {
1037 for (k = 0; k < nmlngth; k++)
1038 putc(nayme[j - 1][k], outfile);
1039 fprintf(outfile, " ");
1043 for (k = (i - 1) * 60 + 1; k <= l; k++) {
1044 if (j > 1 && y[j - 1][k - 1] == y[0][k - 1])
1047 charstate = y[j - 1][k - 1];
1048 putc(charstate, outfile);
1049 if (k % 10 == 0 && k % 60 != 0)
1052 putc('\n', outfile);
1054 putc('\n', outfile);
1056 putc('\n', outfile);
1057 } /* input_protdata */
1062 /* make up weights vector to avoid duplicate computations */
1065 for (i = 1; i <= sites; i++) {
1068 aliasweight[i - 1] = weight[i - 1];
1069 location[i - 1] = 0;
1071 sitesort2 (sites, aliasweight);
1072 sitecombine2(sites, aliasweight);
1073 sitescrunch2(sites, 1, 2, aliasweight);
1074 for (i = 1; i <= sites; i++) {
1075 if (aliasweight[i - 1] > 0)
1078 for (i = 1; i <= endsite; i++) {
1079 location[alias[i - 1] - 1] = i;
1080 ally[alias[i - 1] - 1] = alias[i - 1];
1082 term = (double **) Malloc(endsite * sizeof(double *));
1083 for (i = 0; i < endsite; i++)
1084 term[i] = (double *) Malloc(rcategs * sizeof(double));
1085 slopeterm = (double **) Malloc(endsite * sizeof(double *));
1086 for (i = 0; i < endsite; i++)
1087 slopeterm[i] = (double *) Malloc(rcategs * sizeof(double));
1088 curveterm = (double **) Malloc(endsite * sizeof(double *));
1089 for (i = 0; i < endsite; i++)
1090 curveterm[i] = (double *) Malloc(rcategs * sizeof(double));
1091 mp = (vall *) Malloc(sites*sizeof(vall));
1092 contribution = (contribarr *) Malloc(endsite*sizeof(contribarr));
1096 void prot_makevalues(long categs, pointarray treenode, long endsite,
1097 long spp, sequence y, steptr alias)
1099 /* set up fractional likelihoods at tips */
1100 /* a version of makevalues2 found in seq.c */
1105 for (k = 0; k < endsite; k++) {
1107 for (i = 0; i < spp; i++) {
1108 for (l = 0; l < categs; l++) {
1109 memset(treenode[i]->protx[k][l], 0, sizeof(double)*20);
1110 switch (y[i][j - 1]) {
1113 treenode[i]->protx[k][l][0] = 1.0;
1117 treenode[i]->protx[k][l][(long)arginine - (long)alanine] = 1.0;
1121 treenode[i]->protx[k][l][(long)asparagine - (long)alanine] = 1.0;
1125 treenode[i]->protx[k][l][(long)aspartic - (long)alanine] = 1.0;
1129 treenode[i]->protx[k][l][(long)cysteine - (long)alanine] = 1.0;
1133 treenode[i]->protx[k][l][(long)glutamine - (long)alanine] = 1.0;
1137 treenode[i]->protx[k][l][(long)glutamic - (long)alanine] = 1.0;
1141 treenode[i]->protx[k][l][(long)glycine - (long)alanine] = 1.0;
1145 treenode[i]->protx[k][l][(long)histidine - (long)alanine] = 1.0;
1149 treenode[i]->protx[k][l][(long)isoleucine - (long)alanine] = 1.0;
1153 treenode[i]->protx[k][l][(long)leucine - (long)alanine] = 1.0;
1157 treenode[i]->protx[k][l][(long)lysine - (long)alanine] = 1.0;
1161 treenode[i]->protx[k][l][(long)methionine - (long)alanine] = 1.0;
1165 treenode[i]->protx[k][l][(long)phenylalanine - (long)alanine] = 1.0;
1169 treenode[i]->protx[k][l][(long)proline - (long)alanine] = 1.0;
1173 treenode[i]->protx[k][l][(long)serine - (long)alanine] = 1.0;
1177 treenode[i]->protx[k][l][(long)threonine - (long)alanine] = 1.0;
1181 treenode[i]->protx[k][l][(long)tryptophan - (long)alanine] = 1.0;
1185 treenode[i]->protx[k][l][(long)tyrosine - (long)alanine] = 1.0;
1189 treenode[i]->protx[k][l][(long)valine - (long)alanine] = 1.0;
1193 treenode[i]->protx[k][l][(long)asparagine - (long)alanine] = 1.0;
1194 treenode[i]->protx[k][l][(long)aspartic - (long)alanine] = 1.0;
1198 treenode[i]->protx[k][l][(long)glutamine - (long)alanine] = 1.0;
1199 treenode[i]->protx[k][l][(long)glutamic - (long)alanine] = 1.0;
1202 case 'X': /* unknown aa */
1203 for (b = 0; b <= 19; b++)
1204 treenode[i]->protx[k][l][b] = 1.0;
1207 case '?': /* unknown aa */
1208 for (b = 0; b <= 19; b++)
1209 treenode[i]->protx[k][l][b] = 1.0;
1212 case '*': /* stop codon symbol */
1213 for (b = 0; b <= 19; b++)
1214 treenode[i]->protx[k][l][b] = 1.0;
1217 case '-': /* deletion event-absent data or aa */
1218 for (b = 0; b <= 19; b++)
1219 treenode[i]->protx[k][l][b] = 1.0;
1225 } /* prot_makevalues */
1228 void free_pmatrix(long sib)
1232 for (j = 0; j < rcategs; j++) {
1233 for (k = 0; k < categs; k++) {
1234 for (l = 0; l < 20; l++)
1235 free(pmatrices[sib][j][k][l]);
1236 free(pmatrices[sib][j][k]);
1238 free(pmatrices[sib][j]);
1240 free(pmatrices[sib]);
1243 void alloc_pmatrix(long sib)
1245 /* Allocate memory for a new pmatrix. Called iff num_sibs>max_num_sibs */
1247 double ****temp_matrix;
1249 temp_matrix = (double ****) Malloc (rcategs * sizeof(double ***));
1250 for (j = 0; j < rcategs; j++) {
1251 temp_matrix[j] = (double ***) Malloc(categs * sizeof(double **));
1252 for (k = 0; k < categs; k++) {
1253 temp_matrix[j][k] = (double **) Malloc(20 * sizeof (double *));
1254 for (l = 0; l < 20; l++)
1255 temp_matrix[j][k][l] = (double *) Malloc(20 * sizeof(double));
1258 pmatrices[sib] = temp_matrix;
1260 } /* alloc_pmatrix */
1262 void prot_freetable()
1265 for (j = 0; j < rcategs; j++) {
1266 for (k = 0; k < categs; k++) {
1267 for (l = 0; l < 20; l++)
1268 free(ddpmatrix[j][k][l]);
1269 free(ddpmatrix[j][k]);
1275 for (j = 0; j < rcategs; j++) {
1276 for (k = 0; k < categs; k++) {
1277 for (l = 0; l < 20; l++)
1278 free(dpmatrix[j][k][l]);
1279 free(dpmatrix[j][k]);
1286 for (j = 0; j < rcategs; j++)
1290 for ( i = 0 ; i < max_num_sibs ; i++ )
1295 void prot_inittable()
1297 /* Define a lookup table. Precompute values and print them out in tables */
1298 /* Allocate memory for the pmatrices, dpmatices and ddpmatrices */
1302 /* Allocate memory for pmatrices, the array of pointers to pmatrices */
1304 pmatrices = (double *****) Malloc ( spp * sizeof(double ****));
1306 /* Allocate memory for the first 2 pmatrices, the matrix of conversion */
1307 /* probabilities, but only once per run (aka not on the second jumble. */
1312 /* Allocate memory for one dpmatrix, the first derivative matrix */
1314 dpmatrix = (double ****) Malloc( rcategs * sizeof(double ***));
1315 for (j = 0; j < rcategs; j++) {
1316 dpmatrix[j] = (double ***) Malloc( categs * sizeof(double **));
1317 for (k = 0; k < categs; k++) {
1318 dpmatrix[j][k] = (double **) Malloc( 20 * sizeof(double *));
1319 for (l = 0; l < 20; l++)
1320 dpmatrix[j][k][l] = (double *) Malloc( 20 * sizeof(double));
1324 /* Allocate memory for one ddpmatrix, the second derivative matrix */
1325 ddpmatrix = (double ****) Malloc( rcategs * sizeof(double ***));
1326 for (j = 0; j < rcategs; j++) {
1327 ddpmatrix[j] = (double ***) Malloc( categs * sizeof(double **));
1328 for (k = 0; k < categs; k++) {
1329 ddpmatrix[j][k] = (double **) Malloc( 20 * sizeof(double *));
1330 for (l = 0; l < 20; l++)
1331 ddpmatrix[j][k][l] = (double *) Malloc( 20 * sizeof(double));
1335 /* Allocate memory and assign values to tbl, the matrix of possible rates*/
1337 tbl = (double **) Malloc( rcategs * sizeof(double *));
1338 for (j = 0; j < rcategs; j++)
1339 tbl[j] = (double *) Malloc( categs * sizeof(double));
1341 for (j = 0; j < rcategs; j++)
1342 for (k = 0; k < categs; k++)
1343 tbl[j][k] = rrate[j]*rate[k];
1346 for (i = 0; i < endsite; i++) {
1347 for (j = 0; j < rcategs; j++)
1348 sumrates += aliasweight[i] * probcat[j]
1349 * tbl[j][category[alias[i] - 1] - 1];
1351 sumrates /= (double)sites;
1352 for (j = 0; j < rcategs; j++)
1353 for (k = 0; k < categs; k++) {
1354 tbl[j][k] /= sumrates;
1361 fprintf(outfile, "\nDiscrete approximation to gamma distributed rates\n");
1363 " Coefficient of variation of rates = %f (alpha = %f)\n",
1367 fprintf(outfile, "\nStates in HMM Rate of change Probability\n\n");
1368 for (i = 0; i < rcategs; i++)
1369 if (probcat[i] < 0.0001)
1370 fprintf(outfile, "%9ld%16.3f%20.6f\n", i+1, rrate[i], probcat[i]);
1371 else if (probcat[i] < 0.001)
1372 fprintf(outfile, "%9ld%16.3f%19.5f\n", i+1, rrate[i], probcat[i]);
1373 else if (probcat[i] < 0.01)
1374 fprintf(outfile, "%9ld%16.3f%18.4f\n", i+1, rrate[i], probcat[i]);
1376 fprintf(outfile, "%9ld%16.3f%17.3f\n", i+1, rrate[i], probcat[i]);
1377 putc('\n', outfile);
1380 "Expected length of a patch of sites having the same rate = %8.3f\n",
1382 putc('\n', outfile);
1385 fprintf(outfile, "\nSite category Rate of change\n\n");
1386 for (k = 0; k < categs; k++)
1387 fprintf(outfile, "%9ld%16.3f\n", k+1, rate[k]);
1389 if ((rcategs > 1) || (categs >> 1))
1390 fprintf(outfile, "\n\n");
1391 } /* prot_inittable */
1396 /* reads the input data */
1397 if (!justwts || firstset)
1399 if (!justwts || firstset)
1400 input_protdata(sites);
1401 if ( !firstset ) freelrsaves();
1404 setuptree2(curtree);
1406 setuptree2(bestree);
1407 setuptree2(priortree);
1409 setuptree2(bestree2);
1411 prot_allocx(nonodes2, rcategs, curtree.nodep, usertree);
1413 prot_allocx(nonodes2, rcategs, bestree.nodep, 0);
1414 prot_allocx(nonodes2, rcategs, priortree.nodep, 0);
1416 prot_allocx(nonodes2, rcategs, bestree2.nodep, 0);
1418 prot_makevalues(rcategs, curtree.nodep, endsite, spp, y, alias);
1422 void inittravtree(node *p)
1424 /* traverse tree to set initialized and v to initial values */
1427 p->initialized = false;
1428 p->back->initialized = false;
1429 if ((!lngths) || p->iter) {
1431 p->back->v = initialv;
1437 inittravtree(q->back);
1441 } /* inittravtree */
1444 void prot_nuview(node *p)
1446 long i, j, k, l, m, num_sibs, sib_index;
1447 node *sib_ptr, *sib_back_ptr;
1448 psitelike prot_xx, x2;
1454 /* Figure out how many siblings the current node has */
1455 /* and be sure that pmatrices is large enough */
1456 num_sibs = count_sibs(p);
1457 for (i = 0; i < num_sibs; i++)
1458 if (pmatrices[i] == NULL)
1461 /* Recursive calls, should be called for all children */
1463 for (i=0 ; i < num_sibs; i++) {
1464 sib_ptr = sib_ptr->next;
1465 sib_back_ptr = sib_ptr->back;
1467 if (!sib_back_ptr->tip &&
1468 !sib_back_ptr->initialized)
1469 prot_nuview(sib_back_ptr);
1472 /* Make pmatrices for all possible combinations of category, rcateg */
1474 sib_ptr = p; /* return to p */
1475 for (sib_index=0; sib_index < num_sibs; sib_index++) {
1476 sib_ptr = sib_ptr->next;
1477 sib_back_ptr = sib_ptr->back;
1479 lw = sib_back_ptr->v;
1481 for (j = 0; j < rcategs; j++)
1482 for (k = 0; k < categs; k++)
1483 make_pmatrix(pmatrices[sib_index][j][k], NULL, NULL, 0, lw,
1484 tbl[j][k], eigmat, probmat);
1487 for (i = 0; i < endsite; i++) {
1491 k = category[alias[i]-1] - 1;
1492 for (j = 0; j < rcategs; j++) {
1494 /* initialize to 1 all values of prot_xx */
1495 for (m = 0; m <= 19; m++)
1498 sib_ptr = p; /* return to p */
1499 /* loop through all sibs and calculate likelihoods for all possible*/
1500 /* amino acid combinations */
1501 for (sib_index=0; sib_index < num_sibs; sib_index++) {
1502 sib_ptr = sib_ptr->next;
1503 sib_back_ptr = sib_ptr->back;
1506 correction += sib_back_ptr->underflows[i];
1508 memcpy(x2, sib_back_ptr->protx[i][j], sizeof(psitelike));
1509 pmat = pmatrices[sib_index][j][k];
1510 for (m = 0; m <= 19; m++) {
1512 for (l = 0; l <= 19; l++)
1513 prod7 += (pmat[m][l] * x2[l]);
1514 prot_xx[m] *= prod7;
1515 if ( prot_xx[m] > maxx && sib_index == (num_sibs - 1))
1519 /* And the final point of this whole function: */
1520 memcpy(p->protx[i][j], prot_xx, sizeof(psitelike));
1522 p->underflows[i] = 0;
1523 if ( maxx < MIN_DOUBLE )
1524 fix_protx(p,i,maxx,rcategs);
1525 p->underflows[i] += correction;
1528 p->initialized = true;
1532 void prot_slopecurv(node *p,double y,double *like,double *slope,double *curve)
1534 /* compute log likelihood, slope and curvature at node p */
1535 long i, j, k, l, m, lai;
1536 double sum, sumc, sumterm, lterm, sumcs, sumcc, sum2, slope2, curve2;
1537 double frexm = 0; /* frexm = freqaa[m]*x1[m] */
1538 /* frexml = frexm*x2[l] */
1539 double prod4m, prod5m, prod6m; /* elements of prod4-5 for */
1541 double **pmat, **dpmat, **ddpmat; /* local pointers to global*/
1543 double prod4, prod5, prod6;
1544 contribarr thelike, nulike, nuslope, nucurve,
1545 theslope, thecurve, clai, cslai, cclai;
1551 for (j = 0; j < rcategs; j++) {
1552 for (k = 0; k < categs; k++) {
1553 make_pmatrix(pmatrices[0][j][k], dpmatrix[j][k], ddpmatrix[j][k],
1554 2, y, tbl[j][k], eigmat, probmat);
1557 for (i = 0; i < endsite; i++) {
1558 k = category[alias[i]-1] - 1;
1559 for (j = 0; j < rcategs; j++) {
1560 memcpy(x1, p->protx[i][j], sizeof(psitelike));
1561 memcpy(x2, q->protx[i][j], sizeof(psitelike));
1562 pmat = pmatrices[0][j][k];
1563 dpmat = dpmatrix[j][k];
1564 ddpmat = ddpmatrix[j][k];
1568 for (m = 0; m <= 19; m++) {
1572 frexm = x1[m] * freqaa[m];
1573 for (l = 0; l <= 19; l++) {
1574 prod4m += x2[l] * pmat[m][l];
1575 prod5m += x2[l] * dpmat[m][l];
1576 prod6m += x2[l] * ddpmat[m][l];
1578 prod4 += frexm * prod4m;
1579 prod5 += frexm * prod5m;
1580 prod6 += frexm * prod6m;
1583 slopeterm[i][j] = prod5;
1584 curveterm[i][j] = prod6;
1587 for (j = 0; j < rcategs; j++)
1588 sumterm += probcat[j] * term[i][j];
1590 sumterm = 0.000000001; /* ? shouldn't get here ?? */
1591 lterm = log(sumterm) + p->underflows[i] + q->underflows[i];
1592 for (j = 0; j < rcategs; j++) {
1593 term[i][j] = term[i][j] / sumterm;
1594 slopeterm[i][j] = slopeterm[i][j] / sumterm;
1595 curveterm[i][j] = curveterm[i][j] / sumterm;
1597 sum += (aliasweight[i] * lterm);
1599 for (i = 0; i < rcategs; i++) {
1604 for (i = 0; i < sites; i++) {
1608 for (k = 0; k < rcategs; k++) {
1609 sumc += probcat[k] * thelike[k];
1610 sumcs += probcat[k] * theslope[k];
1611 sumcc += probcat[k] * thecurve[k];
1616 if ((ally[i] > 0) && (location[ally[i]-1] > 0)) {
1617 lai = location[ally[i] - 1];
1618 memcpy(clai, term[lai - 1], rcategs*sizeof(double));
1619 memcpy(cslai, slopeterm[lai - 1], rcategs*sizeof(double));
1620 memcpy(cclai, curveterm[lai - 1], rcategs*sizeof(double));
1621 if (weight[i] > 1) {
1622 for (j = 0; j < rcategs; j++) {
1624 clai[j] = exp(weight[i]*log(clai[j]));
1627 cslai[j] = exp(weight[i]*log(cslai[j]));
1628 else cslai[j] = 0.0;
1630 cclai[j] = exp(weight[i]*log(cclai[j]));
1631 else cclai[j] = 0.0;
1634 for (j = 0; j < rcategs; j++) {
1635 nulike[j] = ((1.0 - lambda) * thelike[j] + sumc) * clai[j];
1636 nuslope[j] = ((1.0 - lambda) * theslope[j] + sumcs) * clai[j]
1637 + ((1.0 - lambda) * thelike[j] + sumc) * cslai[j];
1638 nucurve[j] = ((1.0 - lambda) * thecurve[j] + sumcc) * clai[j]
1639 + 2.0 * ((1.0 - lambda) * theslope[j] + sumcs) * cslai[j]
1640 + ((1.0 - lambda) * thelike[j] + sumc) * cclai[j];
1643 for (j = 0; j < rcategs; j++) {
1644 nulike[j] = ((1.0 - lambda) * thelike[j] + sumc);
1645 nuslope[j] = ((1.0 - lambda) * theslope[j] + sumcs);
1646 nucurve[j] = ((1.0 - lambda) * thecurve[j] + sumcc);
1649 memcpy(thelike, nulike, rcategs*sizeof(double));
1650 memcpy(theslope, nuslope, rcategs*sizeof(double));
1651 memcpy(thecurve, nucurve, rcategs*sizeof(double));
1656 for (i = 0; i < rcategs; i++) {
1657 sum2 += probcat[i] * thelike[i];
1658 slope2 += probcat[i] * theslope[i];
1659 curve2 += probcat[i] * thecurve[i];
1663 (*slope) = slope2 / sum2;
1664 (*curve) = (curve2 - slope2 * slope2 / sum2) / sum2;
1665 } /* prot_slopecurv */
1668 void makenewv(node *p)
1670 /* Newton-Raphson algorithm improvement of a branch length */
1672 double y, yold=0, yorig, like, slope, curve, oldlike=0;
1673 boolean done, firsttime, better;
1683 while ((it < iterations) && (ite < 20) && (!done)) {
1684 prot_slopecurv(p, y, &like, &slope, &curve);
1692 if (like > oldlike) {
1700 y = y + slope/fabs(curve);
1704 if (fabs(y - yold) < epsilon)
1706 y = (y + (7 * yold)) / 8;
1709 done = fabs(y-yold) < epsilon;
1711 smoothed = (fabs(yold-yorig) < epsilon) && (yorig > 1000.0*epsilon);
1714 curtree.likelihood = oldlike;
1718 void update(node *p)
1720 if (!p->tip && !p->initialized)
1722 if (!p->back->tip && !p->back->initialized)
1723 prot_nuview(p->back);
1724 if ((!usertree) || (usertree && !lngths) || p->iter) {
1730 else if ( inserting && !p->tip ) {
1731 p->next->initialized = false;
1732 p->next->next->initialized = false;
1738 void smooth(node *p)
1748 num_sibs = count_sibs(p);
1751 for (i=0; i < num_sibs; i++) {
1752 sib_ptr = sib_ptr->next;
1754 if (polishing || (smoothit && !smoothed)) {
1755 smooth(sib_ptr->back);
1756 p->initialized = false;
1757 sib_ptr->initialized = false;
1763 void make_pmatrix(double **matrix, double **dmat, double **ddmat,
1764 long derivative, double lz, double rat,
1765 double *eigmat, double **probmat)
1767 /* Computes the R matrix such that matrix[m][l] is the joint probability */
1769 /* Computes a P matrix such that matrix[m][l] is the conditional */
1770 /* probability of m given l. This is accomplished by dividing all terms */
1771 /* in the R matrix by freqaa[m], the frequency of l. */
1773 long k, l, m; /* (l) original character state */
1774 /* (m) final character state */
1775 /* (k) lambda counter */
1776 double p0, p1, p2, q;
1777 double elambdat[20], delambdat[20], ddelambdat[20];
1778 /* exponential term for matrix */
1779 /* and both derivative matrices */
1780 for (k = 0; k <= 19; k++) {
1781 elambdat[k] = exp(lz * rat * eigmat[k]);
1782 if(derivative != 0) {
1783 delambdat[k] = (elambdat[k] * rat * eigmat[k]);
1784 ddelambdat[k] = (delambdat[k] * rat * eigmat[k]);
1787 for (m = 0; m <= 19; m++) {
1788 for (l = 0; l <= 19; l++) {
1792 for (k = 0; k <= 19; k++) {
1793 q = probmat[k][m] * probmat[k][l];
1794 p0 += (q * elambdat[k]);
1795 if(derivative !=0) {
1796 p1 += (q * delambdat[k]);
1797 p2 += (q * ddelambdat[k]);
1800 matrix[m][l] = p0 / freqaa[m];
1801 if(derivative != 0) {
1802 dmat[m][l] = p1 / freqaa[m];
1803 ddmat[m][l] = p2 / freqaa[m];
1807 } /* make_pmatrix */
1810 double prot_evaluate(node *p, boolean saveit)
1813 double sum, sum2, sumc, y, prod4, prodl, frexm, sumterm, lterm;
1815 long i, j, k, l, m, lai;
1822 for (j = 0; j < rcategs; j++)
1823 for (k = 0; k < categs; k++)
1824 make_pmatrix(pmatrices[0][j][k],NULL,NULL,0,y,tbl[j][k],eigmat,probmat);
1825 for (i = 0; i < endsite; i++) {
1826 k = category[alias[i]-1] - 1;
1827 for (j = 0; j < rcategs; j++) {
1828 memcpy(x1, p->protx[i][j], sizeof(psitelike));
1829 memcpy(x2, q->protx[i][j], sizeof(psitelike));
1831 pmat = pmatrices[0][j][k];
1832 for (m = 0; m <= 19; m++) {
1834 for (l = 0; l <= 19; l++)
1835 prodl += (pmat[m][l] * x2[l]);
1836 frexm = x1[m] * freqaa[m];
1837 prod4 += (prodl * frexm);
1842 for (j = 0; j < rcategs; j++)
1843 sumterm += probcat[j] * tterm[j];
1845 sumterm = 0.00000001; /* ??? */
1846 lterm = log(sumterm) + p->underflows[i] + q->underflows[i];
1847 for (j = 0; j < rcategs; j++)
1848 clai[j] = tterm[j] / sumterm;
1849 memcpy(contribution[i], clai, rcategs*sizeof(double));
1850 if (saveit && !auto_ && usertree && (which <= shimotrees))
1851 l0gf[which - 1][i] = lterm;
1852 sum += aliasweight[i] * lterm;
1854 for (j = 0; j < rcategs; j++)
1856 for (i = 0; i < sites; i++) {
1858 for (k = 0; k < rcategs; k++)
1859 sumc += probcat[k] * like[k];
1861 if ((ally[i] > 0) && (location[ally[i]-1] > 0)) {
1862 lai = location[ally[i] - 1];
1863 memcpy(clai, contribution[lai - 1], rcategs*sizeof(double));
1864 for (j = 0; j < rcategs; j++)
1865 nulike[j] = ((1.0 - lambda) * like[j] + sumc) * clai[j];
1867 for (j = 0; j < rcategs; j++)
1868 nulike[j] = ((1.0 - lambda) * like[j] + sumc);
1870 memcpy(like, nulike, rcategs*sizeof(double));
1873 for (i = 0; i < rcategs; i++)
1874 sum2 += probcat[i] * like[i];
1876 curtree.likelihood = sum;
1877 if (!saveit || auto_ || !usertree)
1879 if(which <= shimotrees)
1880 l0gl[which - 1] = sum;
1886 if (sum > maxlogl) {
1891 } /* prot_evaluate */
1896 /* evaluate a user tree */
1899 inittravtree(curtree.start);
1902 for (i = 1; i <= smoothings * 4; i++)
1903 smooth (curtree.start);
1904 dummy = prot_evaluate(curtree.start, true);
1908 void promlcopy(tree *a, tree *b, long nonodes, long categs)
1910 /* copy tree a to tree b */
1914 for (i = 0; i < spp; i++) {
1915 prot_copynode(a->nodep[i], b->nodep[i], categs);
1916 if (a->nodep[i]->back) {
1917 if (a->nodep[i]->back == a->nodep[a->nodep[i]->back->index - 1])
1918 b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1];
1919 else if (a->nodep[i]->back == a->nodep[a->nodep[i]->back->index - 1]->next
1921 b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]->next;
1923 b->nodep[i]->back = b->nodep[a->nodep[i]->back->index - 1]->next->next;
1925 else b->nodep[i]->back = NULL;
1927 for (i = spp; i < nonodes; i++) {
1930 for (j = 1; j <= 3; j++) {
1931 prot_copynode(p, q, categs);
1933 if (p->back == a->nodep[p->back->index - 1])
1934 q->back = b->nodep[p->back->index - 1];
1935 else if (p->back == a->nodep[p->back->index - 1]->next)
1936 q->back = b->nodep[p->back->index - 1]->next;
1938 q->back = b->nodep[p->back->index - 1]->next->next;
1946 b->likelihood = a->likelihood;
1947 b->start = a->start; /* start used in dnaml only */
1948 b->root = a->root; /* root used in dnamlk only */
1952 void proml_re_move(node **p, node **q)
1954 /* remove p and record in q where it was */
1957 /** assumes bifurcations */
1958 *q = (*p)->next->back;
1959 hookup(*q, (*p)->next->next->back);
1960 (*p)->next->back = NULL;
1961 (*p)->next->next->back = NULL;
1962 (*q)->v += (*q)->back->v;
1963 (*q)->back->v = (*q)->v;
1966 inittrav((*q)->back);
1967 inittrav((*p)->back);
1970 for ( i = 0 ; i < smoothings ; i++ ) {
1977 } /* proml_re_move */
1980 void insert_(node *p, node *q, boolean dooinit)
1982 /* Insert q near p */
1983 long i, j, num_sibs;
1993 p->initialized = false;
2001 while (i <= smoothings) {
2004 num_sibs = count_sibs(p);
2006 for (j=0; j < num_sibs; j++) {
2007 smooth(sib_ptr->next->back);
2008 sib_ptr = sib_ptr->next;
2017 void addtraverse(node *p, node *q, boolean contin)
2019 /* try adding p at q, proceed recursively through tree */
2021 double like, vsave = 0;
2022 node *qback = NULL, *sib_ptr;
2028 insert_(p, q, false);
2029 like = prot_evaluate(p, false);
2030 if (like > bestyet || bestyet == UNDEFINED) {
2034 promlcopy(&curtree, &bestree, nonodes2, rcategs);
2041 promlcopy(&priortree, &curtree, nonodes2, rcategs);
2046 curtree.likelihood = bestyet;
2048 if (!q->tip && contin) {
2049 num_sibs = count_sibs(q);
2050 if (q == curtree.start)
2053 for (i=0; i < num_sibs; i++) {
2054 addtraverse(p, sib_ptr->next->back, contin);
2055 sib_ptr = sib_ptr->next;
2061 void globrearrange()
2063 /* does global rearrangements */
2066 int i,j,k,l,num_sibs,num_sibs2;
2067 node *where,*sib_ptr,*sib_ptr2;
2068 double oldbestyet = curtree.likelihood;
2069 int success = false;
2071 alloctree(&globtree.nodep,nonodes2,0);
2072 alloctree(&oldtree.nodep,nonodes2,0);
2073 setuptree2(globtree);
2074 setuptree2(oldtree);
2075 prot_allocx(nonodes2, rcategs, globtree.nodep, 0);
2076 prot_allocx(nonodes2, rcategs, oldtree.nodep, 0);
2077 promlcopy(&curtree,&globtree,nonodes2,rcategs);
2078 promlcopy(&curtree,&oldtree,nonodes2,rcategs);
2079 bestyet = curtree.likelihood;
2080 for ( i = spp ; i < nonodes2 ; i++ ) {
2081 num_sibs = count_sibs(curtree.nodep[i]);
2082 sib_ptr = curtree.nodep[i];
2083 if ( (i - spp) % (( nonodes2 / 72 ) + 1 ) == 0 )
2086 for ( j = 0 ; j <= num_sibs ; j++ ) {
2087 proml_re_move(&sib_ptr,&where);
2088 promlcopy(&curtree,&priortree,nonodes2,rcategs);
2092 promlcopy(&oldtree,&curtree,nonodes2,rcategs);
2093 promlcopy(&oldtree,&bestree,nonodes2,rcategs);
2094 sib_ptr=sib_ptr->next;
2097 else num_sibs2 = count_sibs(where);
2099 for ( k = 0 ; k < num_sibs2 ; k++ ) {
2101 addtraverse(sib_ptr,sib_ptr2->back,true);
2103 if (succeeded && qwhere != where && qwhere != where->back) {
2104 insert_(sib_ptr,qwhere,true);
2106 for (l = 1; l<=smoothings; l++) {
2108 smooth (where->back);
2112 promlcopy(&curtree,&globtree,nonodes2,rcategs);
2113 promlcopy(&priortree,&curtree,nonodes2,rcategs);
2116 else if ( addwhere && where != addwhere && where->back != addwhere
2117 && bestyet > globtree.likelihood) {
2118 promlcopy(&bestree,&globtree,nonodes2,rcategs);
2121 sib_ptr2 = sib_ptr2->next;
2123 promlcopy(&oldtree,&curtree,nonodes2,rcategs);
2124 promlcopy(&oldtree,&bestree,nonodes2,rcategs);
2125 sib_ptr = sib_ptr->next;
2128 promlcopy(&globtree,&curtree,nonodes2,rcategs);
2129 promlcopy(&globtree,&bestree,nonodes2,rcategs);
2130 if (success && globtree.likelihood > oldbestyet) {
2136 bestyet = globtree.likelihood;
2137 prot_freex(nonodes2,oldtree.nodep);
2138 prot_freex(nonodes2,globtree.nodep);
2139 freetree2(globtree.nodep,nonodes2);
2140 freetree2(oldtree.nodep,nonodes2);
2141 } /* globrearrange */
2147 for ( i = 0 ; i < NLRSAVES ; i++ ) {
2148 for (j = 0; j < oldendsite; j++)
2149 free(lrsaves[i]->protx[j]);
2150 free(lrsaves[i]->protx);
2151 free(lrsaves[i]->underflows);
2161 lrsaves = Malloc(NLRSAVES * sizeof(node*));
2162 oldendsite = endsite;
2163 for ( i = 0 ; i < NLRSAVES ; i++ ) {
2164 lrsaves[i] = Malloc(sizeof(node));
2165 lrsaves[i]->protx = Malloc(endsite*sizeof(ratelike));
2166 lrsaves[i]->underflows = Malloc(endsite * sizeof (double));
2167 for (j = 0; j < endsite; j++)
2168 lrsaves[i]->protx[j] = (pratelike)Malloc(rcategs*sizeof(psitelike));
2170 } /* alloclrsaves */
2173 void rearrange(node *p, node *pp)
2175 /* rearranges the tree locally moving pp around near p */
2177 node *q, *r, *sib_ptr;
2180 if (!p->tip && !p->back->tip) {
2181 curtree.likelihood = bestyet;
2182 if (p->back->next != pp)
2185 r = p->back->next->next;
2186 /* assumes bifurcations? */
2188 rnb = r->next->back;
2189 rnnb = r->next->next->back;
2190 prot_copynode(r,lrsaves[0],categs);
2191 prot_copynode(r->next,lrsaves[1],categs);
2192 prot_copynode(r->next->next,lrsaves[2],categs);
2193 prot_copynode(p->next,lrsaves[3],categs);
2194 prot_copynode(p->next->next,lrsaves[4],categs);
2197 promlcopy(&curtree, &bestree, nonodes2, rcategs);
2198 proml_re_move(&r, &q);
2200 promlcopy(&curtree, &priortree, nonodes2, rcategs);
2203 num_sibs = count_sibs (p);
2205 for (i=0; i < num_sibs; i++) {
2206 sib_ptr = sib_ptr->next;
2207 addtraverse(r, sib_ptr->back, false);
2210 promlcopy(&bestree, &curtree, nonodes2, rcategs);
2213 hookup(rnb,r->next);
2214 hookup(rnnb,r->next->next);
2215 prot_copynode(lrsaves[0],r,categs);
2216 prot_copynode(lrsaves[1],r->next,categs);
2217 prot_copynode(lrsaves[2],r->next->next,categs);
2218 prot_copynode(lrsaves[3],p->next,categs);
2219 prot_copynode(lrsaves[4],p->next->next,categs);
2220 rnb->v = r->next->v;
2221 rnnb->v = r->next->next->v;
2223 curtree.likelihood = bestyet;
2226 insert_(r, qwhere, true);
2228 for (i = 1; i<=smoothings; i++) {
2233 promlcopy(&curtree, &bestree, nonodes2, rcategs);
2238 num_sibs = count_sibs(p);
2239 if (p == curtree.start)
2242 for (i=0; i < num_sibs; i++) {
2243 sib_ptr = sib_ptr->next;
2244 rearrange(sib_ptr->back, p);
2250 void proml_coordinates(node *p, double lengthsum, long *tipy,
2253 /* establishes coordinates of nodes */
2254 node *q, *first, *last;
2258 p->xcoord = (long)(over * lengthsum + 0.5);
2259 p->ycoord = (*tipy);
2263 if (lengthsum > (*tipmax))
2264 (*tipmax) = lengthsum;
2272 proml_coordinates(q->back, lengthsum + xx, tipy,tipmax);
2274 } while ((p == curtree.start || p != q) &&
2275 (p != curtree.start || p->next != q));
2276 first = p->next->back;
2278 while (q->next != p)
2281 p->xcoord = (long)(over * lengthsum + 0.5);
2282 if (p == curtree.start)
2283 p->ycoord = p->next->next->back->ycoord;
2285 p->ycoord = (first->ycoord + last->ycoord) / 2;
2286 p->ymin = first->ymin;
2287 p->ymax = last->ymax;
2288 } /* proml_coordinates */
2291 void proml_printree()
2293 /* prints out diagram of the tree2 */
2295 double scale, tipmax;
2300 putc('\n', outfile);
2303 proml_coordinates(curtree.start, 0.0, &tipy, &tipmax);
2304 scale = 1.0 / (long)(tipmax + 1.000);
2305 for (i = 1; i <= (tipy - down); i++)
2306 drawline2(i, scale, curtree);
2307 putc('\n', outfile);
2308 } /* proml_printree */
2311 void sigma(node *p, double *sumlr, double *s1, double *s2)
2313 /* compute standard deviation */
2314 double tt, aa, like, slope, curv;
2316 prot_slopecurv(p, p->v, &like, &slope, &curv);
2319 p->back->v = epsilon;
2320 aa = prot_evaluate(p, false);
2323 (*sumlr) = prot_evaluate(p, false) - aa;
2324 if (curv < -epsilon) {
2325 (*s1) = p->v + (-slope - sqrt(slope * slope - 3.841 * curv)) / curv;
2326 (*s2) = p->v + (-slope + sqrt(slope * slope - 3.841 * curv)) / curv;
2335 void describe(node *p)
2337 /* print out information for one branch */
2340 double sumlr, sigma1, sigma2;
2342 if (!p->tip && !p->initialized)
2344 if (!p->back->tip && !p->back->initialized)
2345 prot_nuview(p->back);
2348 fprintf(outfile, " ");
2349 for (i = 0; i < nmlngth; i++)
2350 putc(nayme[q->index-1][i], outfile);
2351 fprintf(outfile, " ");
2353 fprintf(outfile, " %4ld ", q->index - spp);
2355 for (i = 0; i < nmlngth; i++)
2356 putc(nayme[p->index-1][i], outfile);
2358 fprintf(outfile, "%4ld ", p->index - spp);
2359 fprintf(outfile, "%15.5f", q->v);
2360 if (!usertree || (usertree && !lngths) || p->iter) {
2361 sigma(q, &sumlr, &sigma1, &sigma2);
2362 if (sigma1 <= sigma2)
2363 fprintf(outfile, " ( zero, infinity)");
2365 fprintf(outfile, " (");
2367 fprintf(outfile, " zero");
2369 fprintf(outfile, "%9.5f", sigma2);
2370 fprintf(outfile, ",%12.5f", sigma1);
2374 fprintf(outfile, " *");
2378 putc('\n', outfile);
2380 num_sibs = count_sibs(p);
2382 for (i=0; i < num_sibs; i++) {
2383 sib_ptr = sib_ptr->next;
2384 describe(sib_ptr->back);
2390 void prot_reconstr(node *p, long n)
2392 /* reconstruct and print out acid at site n+1 at node p */
2393 long i, j, k, first, num_sibs = 0;
2394 double f, sum, xx[20];
2398 putc(y[p->index-1][n], outfile);
2400 num_sibs = count_sibs(p);
2401 if ((ally[n] == 0) || (location[ally[n]-1] == 0))
2404 j = location[ally[n]-1] - 1;
2406 for (i = 0; i <= 19; i++) {
2407 f = p->protx[j][mx-1][i];
2410 for (k = 0; k < num_sibs; k++) {
2412 f *= q->protx[j][mx-1][i];
2416 xx[i] = f * freqaa[i];
2419 for (i = 0; i <= 19; i++)
2422 for (i = 0; i <= 19; i++)
2423 if (xx[i] > xx[first])
2425 if (xx[first] > 0.95)
2426 putc(aachar[first], outfile);
2428 putc(tolower(aachar[first]), outfile);
2429 if (rctgry && rcategs > 1)
2435 } /* prot_reconstr */
2438 void rectrav(node *p, long m, long n)
2440 /* print out segment of reconstructed sequence for one branch */
2445 for (i = 0; i < nmlngth; i++)
2446 putc(nayme[p->index-1][i], outfile);
2448 fprintf(outfile, "%4ld ", p->index - spp);
2449 fprintf(outfile, " ");
2451 for (i = m; i <= n; i++) {
2452 if ((i % 10 == 0) && (i != m))
2454 prot_reconstr(p, i);
2456 putc('\n', outfile);
2458 rectrav(p->next->back, m, n);
2459 rectrav(p->next->next->back, m, n);
2467 /* print out branch length information and node numbers */
2468 long i, j, mm, num_sibs;
2470 double like[maxcategs],nulike[maxcategs];
2476 fprintf(outfile, "\nremember: ");
2478 fprintf(outfile, "(although rooted by outgroup) ");
2479 fprintf(outfile, "this is an unrooted tree!\n\n");
2480 fprintf(outfile, "Ln Likelihood = %11.5f\n", curtree.likelihood);
2481 fprintf(outfile, "\n Between And Length");
2482 if (!(usertree && lngths && haslengths))
2483 fprintf(outfile, " Approx. Confidence Limits");
2484 fprintf(outfile, "\n");
2485 fprintf(outfile, " ------- --- ------");
2486 if (!(usertree && lngths && haslengths))
2487 fprintf(outfile, " ------- ---------- ------");
2488 fprintf(outfile, "\n\n");
2489 for (i = spp; i < nonodes2; i++) {
2490 /* So this works with arbitrary multifurcations */
2491 if (curtree.nodep[i]) {
2492 num_sibs = count_sibs (curtree.nodep[i]);
2493 sib_ptr = curtree.nodep[i];
2494 for (j = 0; j < num_sibs; j++) {
2495 sib_ptr->initialized = false;
2496 sib_ptr = sib_ptr->next;
2501 describe(curtree.start->back);
2503 /* So this works with arbitrary multifurcations */
2504 num_sibs = count_sibs(curtree.start);
2505 sib_ptr = curtree.start;
2506 for (i=0; i < num_sibs; i++) {
2507 sib_ptr = sib_ptr->next;
2508 describe(sib_ptr->back);
2511 fprintf(outfile, "\n");
2512 if (!(usertree && lngths && haslengths)) {
2513 fprintf(outfile, " * = significantly positive, P < 0.05\n");
2514 fprintf(outfile, " ** = significantly positive, P < 0.01\n\n");
2516 dummy = prot_evaluate(curtree.start, false);
2517 if (rctgry && rcategs > 1) {
2518 for (i = 0; i < rcategs; i++)
2520 for (i = sites - 1; i >= 0; i--) {
2522 for (j = 0; j < rcategs; j++) {
2523 nulike[j] = (1.0 - lambda + lambda * probcat[j]) * like[j];
2525 for (k = 1; k <= rcategs; k++) {
2527 if (lambda * probcat[k - 1] * like[k - 1] > nulike[j]) {
2528 nulike[j] = lambda * probcat[k - 1] * like[k - 1];
2533 if ((ally[i] > 0) && (location[ally[i]-1] > 0))
2534 nulike[j] *= contribution[location[ally[i] - 1] - 1][j];
2537 for (j = 0; j < rcategs; j++)
2539 memcpy(like, nulike, rcategs * sizeof(double));
2543 for (i = 1; i <= rcategs; i++) {
2544 if (probcat[i - 1] * like[i - 1] > mode) {
2546 mode = probcat[i - 1] * like[i - 1];
2551 "Combination of categories that contributes the most to the likelihood:\n\n");
2552 for (i = 1; i <= nmlngth + 3; i++)
2554 for (i = 1; i <= sites; i++) {
2555 fprintf(outfile, "%ld", mx);
2558 if (i % 60 == 0 && i != sites) {
2559 putc('\n', outfile);
2560 for (j = 1; j <= nmlngth + 3; j++)
2563 mx = mp[i - 1][mx - 1];
2565 fprintf(outfile, "\n\n");
2566 marginal = (double **) Malloc(sites*sizeof(double *));
2567 for (i = 0; i < sites; i++)
2568 marginal[i] = (double *) Malloc(rcategs*sizeof(double));
2569 for (i = 0; i < rcategs; i++)
2571 for (i = sites - 1; i >= 0; i--) {
2573 for (j = 0; j < rcategs; j++) {
2574 nulike[j] = (1.0 - lambda + lambda * probcat[j]) * like[j];
2575 for (k = 1; k <= rcategs; k++) {
2577 nulike[j] += lambda * probcat[k - 1] * like[k - 1];
2579 if ((ally[i] > 0) && (location[ally[i]-1] > 0))
2580 nulike[j] *= contribution[location[ally[i] - 1] - 1][j];
2583 for (j = 0; j < rcategs; j++) {
2585 marginal[i][j] = nulike[j];
2587 memcpy(like, nulike, rcategs * sizeof(double));
2589 for (i = 0; i < rcategs; i++)
2591 for (i = 0; i < sites; i++) {
2593 for (j = 0; j < rcategs; j++) {
2594 nulike[j] = (1.0 - lambda + lambda * probcat[j]) * like[j];
2595 for (k = 1; k <= rcategs; k++) {
2597 nulike[j] += lambda * probcat[k - 1] * like[k - 1];
2599 marginal[i][j] *= like[j] * probcat[j];
2602 for (j = 0; j < rcategs; j++)
2604 memcpy(like, nulike, rcategs * sizeof(double));
2606 for (j = 0; j < rcategs; j++)
2607 sum += marginal[i][j];
2608 for (j = 0; j < rcategs; j++)
2609 marginal[i][j] /= sum;
2611 fprintf(outfile, "Most probable category at each site if > 0.95");
2612 fprintf(outfile, " probability (\".\" otherwise)\n\n");
2613 for (i = 1; i <= nmlngth + 3; i++)
2615 for (i = 0; i < sites; i++) {
2617 for (j = 0; j < rcategs; j++)
2618 if (marginal[i][j] > sum) {
2619 sum = marginal[i][j];
2623 fprintf(outfile, "%ld", mm+1);
2626 if ((i+1) % 60 == 0) {
2628 putc('\n', outfile);
2629 for (j = 1; j <= nmlngth + 3; j++)
2633 else if ((i+1) % 10 == 0)
2636 putc('\n', outfile);
2637 for (i = 0; i < sites; i++)
2641 putc('\n', outfile);
2643 fprintf(outfile, "Probable sequences at interior nodes:\n\n");
2644 fprintf(outfile, " node ");
2645 for (i = 0; (i < 13) && (i < ((sites + (sites-1)/10 - 39) / 2)); i++)
2647 fprintf(outfile, "Reconstructed sequence (caps if > 0.95)\n\n");
2648 if (!rctgry || (rcategs == 1))
2650 for (i = 0; i < sites; i += 60) {
2654 rectrav(curtree.start, i, k);
2655 rectrav(curtree.start->back, i, k);
2656 putc('\n', outfile);
2663 void initpromlnode(node **p, node **grbg, node *q, long len, long nodei,
2664 long *ntips, long *parens, initops whichinit,
2665 pointarray treenode, pointarray nodep, Char *str,
2666 Char *ch, FILE *intree)
2668 /* initializes a node */
2670 double valyew, divisor;
2672 switch (whichinit) {
2675 (*p)->index = nodei;
2677 malloc_ppheno((*p), endsite, rcategs);
2678 nodep[(*p)->index - 1] = (*p);
2682 malloc_ppheno(*p, endsite, rcategs);
2683 (*p)->index = nodei;
2686 match_names_to_data(str, nodep, p, spp);
2689 (*p)->initialized = false;
2692 if ((*p)->back != NULL){
2693 (*p)->back->iter = true;
2694 (*p)->back->v = initialv;
2695 (*p)->back->initialized = false;
2699 processlength(&valyew, &divisor, ch, &minusread, intree, parens);
2700 (*p)->v = valyew / divisor;
2702 if ((*p)->back != NULL) {
2703 (*p)->back->v = (*p)->v;
2704 (*p)->back->iter = false;
2710 default: /* cases hslength, treewt, unittrwt */
2711 break; /* should never occur */
2713 } /* initpromlnode */
2716 void dnaml_treeout(node *p)
2718 /* write out file with representation of final tree2 */
2719 /* Only works for bifurcations! */
2728 for (i = 1; i <= nmlngth; i++) {
2729 if (nayme[p->index-1][i - 1] != ' ')
2732 for (i = 0; i < n; i++) {
2733 c = nayme[p->index-1][i];
2750 putc('\n', outtree);
2755 dnaml_treeout(q->back);
2757 } while ((p == curtree.start || p != q) &&
2758 (p != curtree.start || p->next != q));
2765 w = (long)(0.43429448222 * log(x));
2769 w = (long)(0.43429448222 * log(-x)) + 1;
2772 if (p == curtree.start)
2773 fprintf(outtree, ";\n");
2775 fprintf(outtree, ":%*.5f", (int)(w + 7), x);
2778 } /* dnaml_treeout */
2781 void buildnewtip(long m, tree *tr)
2785 p = tr->nodep[nextsp + spp - 3];
2786 hookup(tr->nodep[m - 1], p);
2788 p->back->v = initialv;
2792 void buildsimpletree(tree *tr)
2794 hookup(tr->nodep[enterorder[0] - 1], tr->nodep[enterorder[1] - 1]);
2795 tr->nodep[enterorder[0] - 1]->v = 1.0;
2796 tr->nodep[enterorder[0] - 1]->back->v = 1.0;
2797 tr->nodep[enterorder[1] - 1]->v = 1.0;
2798 tr->nodep[enterorder[1] - 1]->back->v = 1.0;
2799 buildnewtip(enterorder[2], tr);
2800 insert_(tr->nodep[enterorder[2] - 1]->back,
2801 tr->nodep[enterorder[0] - 1], false);
2802 } /* buildsimpletree */
2805 void free_all_protx (long nonodes, pointarray treenode)
2811 /* Zero thru spp are tips, */
2812 for (i = 0; i < spp; i++) {
2813 for (j = 0; j < endsite; j++)
2814 free(treenode[i]->protx[j]);
2815 free(treenode[i]->protx);
2818 /* The rest are rings (i.e. triads) */
2819 for (i = spp; i < nonodes; i++) {
2820 if (treenode[i] != NULL) {
2823 for (k = 0; k < endsite; k++)
2827 } while (p != treenode[i]);
2830 } /* free_all_protx */
2832 void proml_unroot(node* root, node** nodep, long nonodes)
2834 node *r,*q,*tmpnode;
2839 numsibs = count_sibs(root);
2841 if ( numsibs > 2 ) {
2844 while (!(q->next == root))
2846 q->next = root->next;
2848 for(i=0 ; i < endsite ; i++){
2854 chucktreenode(&grbg, r);
2855 curtree.nodep[spp] = q;
2856 } else if ( root->next->next->next == root) {
2857 newl = root->next->oldlen + root->next->next->oldlen;
2858 root->next->back->oldlen = newl;
2859 root->next->next->back->oldlen = newl;
2861 newl = root->next->v + root->next->next->v;
2862 root->next->back->v = newl;
2863 root->next->next->back->v = newl;
2865 root->next->back->back=root->next->next->back;
2866 root->next->next->back->back = root->next->back;
2867 while ( root->index != nonodes ) {
2868 tmpnode = nodep[ root->index ];
2869 nodep[root->index] = root;
2871 root->next->index++;
2872 root->next->next->index++;
2873 nodep[root->index - 2] = tmpnode;
2875 tmpnode->next->index--;
2876 tmpnode->next->next->index--;
2878 nodep[nonodes -1] = NULL;
2879 for(i=0 ; i < endsite ; i++){
2880 free(root->protx[i]);
2881 free(root->next->protx[i]);
2882 free(root->next->next->protx[i]);
2883 root->protx[i] = NULL;
2884 root->next->protx[i] = NULL;
2885 root->next->next->protx[i] = NULL;
2888 free(root->next->protx);
2889 free(root->next->next->protx);
2891 chucktreenode(&grbg,root->next->next);
2892 chucktreenode(&grbg,root->next);
2893 chucktreenode(&grbg,root);
2903 boolean dummy_first, goteof;
2904 pointarray dummy_treenode=NULL;
2911 openfile(&intree,INTREE,"input tree file", "r",progname,intreename);
2912 numtrees = countsemic(&intree);
2913 if(numtrees > MAXSHIMOTREES)
2914 shimotrees = MAXSHIMOTREES;
2916 shimotrees = numtrees;
2918 initseed(&inseed, &inseed0, seed);
2919 l0gl = (double *) Malloc(shimotrees * sizeof(double));
2920 l0gf = (double **) Malloc(shimotrees * sizeof(double *));
2921 for (i=0; i < shimotrees; ++i)
2922 l0gf[i] = (double *) Malloc(endsite * sizeof(double));
2924 fprintf(outfile, "User-defined tree");
2927 fprintf(outfile, ":\n\n");
2931 /* This taken out of tree read, used to be [spp-1], but referring
2932 to [0] produces output identical to what the pre-modified dnaml
2935 while (which <= numtrees) {
2937 /* These initializations required each time through the loop
2938 since multiple trees require re-initialization */
2944 treeread(intree, &root, dummy_treenode, &goteof, &dummy_first,
2945 curtree.nodep, &nextnode, &haslengths, &grbg,
2946 initpromlnode,false,nonodes2);
2947 proml_unroot(root,curtree.nodep,nonodes2);
2948 if (goteof && (which <= numtrees)) {
2949 /* if we hit the end of the file prematurely */
2951 printf ("ERROR: trees missing at end of file.\n");
2952 printf ("\tExpected number of trees:\t\t%ld\n", numtrees);
2953 printf ("\tNumber of trees actually in file:\t%ld.\n\n", which - 1);
2957 curtree.start = curtree.nodep[0]->back;
2959 curtree.start = curtree.nodep[outgrno - 1]->back;
2966 dnaml_treeout(curtree.start);
2968 if(which < numtrees){
2969 prot_freex_notip(nextnode, curtree.nodep);
2970 gdispose(curtree.start, &grbg, curtree.nodep);
2971 } else nonodes2 = nextnode;
2975 putc('\n', outfile);
2976 if (!auto_ && numtrees > 1 && weightsum > 1 )
2977 standev2(numtrees, maxwhich, 0, endsite-1, maxlogl,
2978 l0gl, l0gf, aliasweight, seed);
2980 /* If there's no input user tree, */
2981 for (i = 1; i <= spp; i++)
2982 enterorder[i - 1] = i;
2984 randumize(seed, enterorder);
2986 printf("\nAdding species:\n");
2987 writename(0, 3, enterorder);
2989 phyFillScreenColor();
2994 buildsimpletree(&curtree);
2995 curtree.start = curtree.nodep[enterorder[0] - 1]->back;
2998 while (nextsp <= spp) {
2999 buildnewtip(enterorder[nextsp - 1], &curtree);
3000 bestyet = UNDEFINED;
3002 promlcopy(&curtree, &priortree, nonodes2, rcategs);
3003 addtraverse(curtree.nodep[enterorder[nextsp - 1] - 1]->back,
3004 curtree.start, true);
3006 promlcopy(&bestree, &curtree, nonodes2, rcategs);
3008 insert_(curtree.nodep[enterorder[nextsp - 1] - 1]->back, qwhere, true);
3010 for (i = 1; i<=smoothings; i++) {
3011 smooth(curtree.start);
3012 smooth(curtree.start->back);
3015 promlcopy(&curtree, &bestree, nonodes2, rcategs);
3016 bestyet = curtree.likelihood;
3019 writename(nextsp - 1, 1, enterorder);
3021 phyFillScreenColor();
3024 if (global && nextsp == spp && progress) {
3025 printf("Doing global rearrangements\n");
3027 for (j = spp ; j < nonodes2 ; j++)
3028 if ( (j - spp) % (( nonodes2 / 72 ) + 1 ) == 0 )
3032 phyFillScreenColor();
3038 if (global && nextsp == spp && progress) {
3042 if (global && nextsp == spp)
3045 rearrange(curtree.start, curtree.start->back);
3046 if (global && nextsp == spp && progress)
3051 if (global && progress) {
3055 phyFillScreenColor();
3058 promlcopy(&curtree, &bestree, nonodes2, rcategs);
3061 promlcopy(&bestree, &bestree2, nonodes2, rcategs);
3063 if (bestree2.likelihood < bestree.likelihood)
3064 promlcopy(&bestree, &bestree2, nonodes2, rcategs);
3066 if (jumb == njumble) {
3068 promlcopy(&bestree2, &curtree, nonodes2, rcategs);
3069 curtree.start = curtree.nodep[outgrno - 1]->back;
3070 for (i = 0; i < nonodes2; i++) {
3072 curtree.nodep[i]->initialized = false;
3074 curtree.nodep[i]->initialized = false;
3075 curtree.nodep[i]->next->initialized = false;
3076 curtree.nodep[i]->next->next->initialized = false;
3084 dnaml_treeout(curtree.start);
3090 for (i=0; i < shimotrees; i++)
3099 for (i=0; i < endsite; i++)
3102 for (i=0; i < endsite; i++)
3105 for (i=0; i < endsite; i++)
3108 free_all_protx(nonodes2, curtree.nodep);
3110 free_all_protx(nonodes2, bestree.nodep);
3111 free_all_protx(nonodes2, priortree.nodep);
3113 free_all_protx(nonodes2, bestree2.nodep);
3116 printf("\n\nOutput written to file \"%s\"\n\n", outfilename);
3118 printf("Tree also written onto file \"%s\"\n", outtreename);
3126 /* Free and/or close stuff */
3132 /* Seems to require freeing every time... */
3133 for (i = 0; i < spp; i++) {
3152 fixmacfile(outfilename);
3153 fixmacfile(outtreename);
3158 int main(int argc, Char *argv[])
3159 { /* Protein Maximum Likelihood */
3161 argc = 1; /* macsetup("ProML",""); */
3166 openfile(&infile,INFILE,"input file","r",argv[0],infilename);
3167 openfile(&outfile,OUTFILE,"output file","w",argv[0],outfilename);
3176 openfile(&catfile,CATFILE,"categories file","r",argv[0],catfilename);
3177 if (weights || justwts)
3178 openfile(&weightfile,WEIGHTFILE,"weights file","r",argv[0],weightfilename);
3180 openfile(&outtree,OUTTREE,"output tree file","w",argv[0],outtreename);
3181 for (ith = 1; ith <= datasets; ith++) {
3183 fprintf(outfile, "Data set # %ld:\n", ith);
3184 printf("\nData set # %ld:\n", ith);
3189 for (jumb = 1; jumb <= njumble; jumb++) {
3196 printf("Done.\n\n");
3198 phyRestoreConsoleAttributes();
3201 } /* Protein Maximum Likelihood */