From 42ab9fcdad6ea5c39bca0fb8b5564c2d420dc183 Mon Sep 17 00:00:00 2001 From: Ben Soares Date: Thu, 20 Jul 2023 10:36:50 +0100 Subject: [PATCH] JAL-244 test files --- .../argfiles/test_fab41_nostructureviewers.txt | 14 ++++ test/files/annotation_label_width/sample.a2m | 80 ++++++++++++++++++++ .../test_fab41_nostructureviewers.txt | 15 ++++ 3 files changed, 109 insertions(+) create mode 100644 examples/argfiles/test_fab41_nostructureviewers.txt create mode 100644 test/files/annotation_label_width/sample.a2m create mode 100644 test/files/annotation_label_width/test_fab41_nostructureviewers.txt diff --git a/examples/argfiles/test_fab41_nostructureviewers.txt b/examples/argfiles/test_fab41_nostructureviewers.txt new file mode 100644 index 0000000..eb8fdc0 --- /dev/null +++ b/examples/argfiles/test_fab41_nostructureviewers.txt @@ -0,0 +1,14 @@ +--open=./examples/test_fab41.result/sample.a2m +--colour=gecos:flower +--gui +--structure=[structureviewer=none]./examples/test_fab41.result/test_fab41_unrelaxed_rank_1_model_3.pdb +--paematrix=[label=pAE R1-M3]./examples/test_fab41.result/test_fab41_unrelaxed_rank_1_model_3_scores.json +--structure=[structureviewer=none]./examples/test_fab41.result/test_fab41_unrelaxed_rank_2_model_4.pdb +--paematrix=[label=pAE R2-M4]./examples/test_fab41.result/test_fab41_unrelaxed_rank_2_model_4_scores.json +--structure=[structureviewer=none]./examples/test_fab41.result/test_fab41_unrelaxed_rank_3_model_2.pdb +--paematrix=[label=pAE R3-M2]./examples/test_fab41.result/test_fab41_unrelaxed_rank_3_model_2_scores.json +--structure=[structureviewer=none]./examples/test_fab41.result/test_fab41_unrelaxed_rank_4_model_5.pdb +--paematrix=[label=pAE R4-M5]./examples/test_fab41.result/test_fab41_unrelaxed_rank_4_model_5_scores.json +--structure=[structureviewer=none]./examples/test_fab41.result/test_fab41_unrelaxed_rank_5_model_1.pdb +--paematrix=[label=pAE R5-M1]./examples/test_fab41.result/test_fab41_unrelaxed_rank_5_model_1_scores.json +--image=output1.html diff --git a/test/files/annotation_label_width/sample.a2m b/test/files/annotation_label_width/sample.a2m new file mode 100644 index 0000000..664868e --- /dev/null +++ b/test/files/annotation_label_width/sample.a2m @@ -0,0 +1,80 @@ +>101 +P.I...A..Q..I.....H.....I........L.......E........G.......R.......S....D.......E.......Q.....K....E. +T..LI....RE...V.S.E...A...I......S.......R...S.......L........D....A.....P......L................... +..........T......S.......V.......R......V...I....I.......T......E.....M........A....K.........G..... +.H..........F..........G........I..........G........G......E........L....A...SK +>UPI 38 0.235 1.216E+00 0 57 59 69 136 151 +P.Hye.V..S..V.....T.....M........P.......T........G.......Wl......N....T.......V.......R.....K....Q. +G..MI....DA...V.T.R...A...L......L.......E...A.......I........A....T.....P......F................... +..........D......Essrfr..V.......R......C...L....I.......P......E.....I........P....D.........G..... +.N..........W..........G........S..........G........Gya....L........P....L...S- +>SRR 56 0.275 5.500E-07 0 58 59 66 134 140 +P.H...V..A..V.....K.....L........Y.......P........G.......R.......T....E.......Q.......Q.....K....E. +Q..LA....RA...I.A.D...D...V......M.......R...I.......L........G....S.....S......E................... +..........A......S.......V.......S......V...S....I.......E......E.....V........D....A.........A..... +.D..........W..........A........EkvyrplivegG........G......T........L....Y...KK +>SRR 56 0.260 5.500E-07 0 58 59 99 167 172 +P.H...V..I..V.....K.....L........W.......P........G.......R.......S....E.......P.......Q.....K....Q. +K..LV....ES...V.T.K...A...V......T.......T...S.......L........G....Y.....S......D................... +..........E......A.......V.......S......V...S....L.......Q......E.....V........P....S.........D..... +.Q..........WtekvyrpdilG........T..........A........G......R........L....Y...KK +>MGY 52 0.227 1.338E-05 0 58 59 1 79 191 +P.I...V..R..I.....T.....M........F.......E........G.......R.......T....K.......E.......Q.....K....Q. +E..LA....RV...I.T.E...A...V......V.......N...I.......A........K....T.....T......P................... +..........D......A.......T.......E......VkdqI....L.......Q......K.....VllvrslrlP....PppasrrqvsG..... +.A..........W..........S........A..........D........G......K........P....T...SE +>446 51 0.202 2.534E-05 0 58 59 41 109 115 +P.H...V..I..V.....K.....L........W.......P........G.......K.......S....E.......R.......E.....E....T. +Q..LA....EA...I.T.K...S...V......T.......E...T.......L........N....F.....G......P................... +..........E......S.......V.......S......V...A....F.......E......E.....I........P....A.........K..... +.D..........W..........AskvyhadiI..........Gne......G......K........L....Y...KK +>SRR 48 0.250 4.494E-04 0 58 59 12 79 182 +P.L...V..R..I.....T.....Y........P.......R........Ga......L.......S....P.......E.......H.....K....T. +R..IA....RA...L.T.E...I...V......L.......D...Vevdaa..T........D....A.....G......R................... +..........M......V.......T.......V......V...H....F.......N......E.....A........A....P.........D..... +.D..........W..........A........V..........G........G......Eirs.....T....A...AE +>SRR 46 0.235 2.223E-03 0 58 59 68 135 197 +P.L...V..R..I.....T.....Y........P.......R........Ga......L.......S....P.......D.......H.....K....R. +R..IA....RE...L.T.E...I...V......L.......D...Vevdaa..T........D....A.....G......R................... +..........M......V.......T.......V......I...H....F.......N......E.....A........A....A.........D..... +.D..........W..........A........V..........G........G......Eirs.....T....A...AE +>SRR 45 0.250 4.216E-03 0 58 59 65 132 177 +P.R...Y..R..Vip...T.....V........P.......E........G.......Qy......S....N.......E.......S.....R....K. +A..LV....KD...V.T.E...A...V......V.......R...A.......D........G....G.....K......Y................... +..........E......Dvapr...V.......W......V...F....P.......T......E.....I........P....D.........G..... +.Q..........W..........G........S..........R........Gvi....R........P....L...PE +>SRR 45 0.264 4.216E-03 0 58 59 253 320 363 +P.R...Y..R..Iip...T.....V........P.......E........G.......Qy......S....N.......E.......S.....R....K. +A..LV....KD...V.T.E...A...V......V.......R...A.......D........G....G.....K......Y................... +..........E......Dvapr...V.......W......V...F....P.......T......E.....I........P....D.........G..... +.Q..........W..........G........S..........R........Gvi....R........P....L...PE +>SRR 39 0.231 5.146E-01 0 58 59 36 104 105 +P.V...I..E..M.....F.....V........P.......E........G.......La......D....A.......E.......A.....K....R. +A..LH....DR...V.S.R...Q...V......L.......E...V.......E........G....AtydesP......L................... +..........A......Qsi.....T.......W......M...L....I.......Q......E.....V........L....E.........C..... +.G..........W..........S........V..........G........S......K........Avw..A...SE +>SRR 39 0.308 5.146E-01 0 58 59 23 90 161 +P.I...I..E..M.....H.....V........Q.......E........Gv......L.......D....E.......E.......T.....K....R. +T..LH....ER...V.G.R...Q...V......L.......E...I.......E........G....Any...D......E................... +..........N......D.......Varllt..F......M...F....I.......R......E.....H........P....E.........G..... +.G..........F..........S........I..........G........G......E........M....It..SE +>SRR 38 0.197 7.091E-01 0 55 59 12 82 121 +P.Lyr.V..D..V.....T.....V........P.......E........Gsmihg..Q.......G....Pwal....S.......R.....R....R. +A..IV....RE...V.T.E...I...V......L.......E...A.......E........G....S.....D......P................... +..........Slgeaw.R.......V.......W......V...V....L.......R......E.....V........G....D.........A..... +.F..........W..........G........A..........A........G......E........L....-...-- +>SRR 38 0.271 1.347E+00 0 54 59 17 86 122 +P.Lyr.V..Q..I.....T.....V........P.......E........Gsmlhg..Q.......G....Pwai....E.......R.....R....R. +E..LV....RA...V.S.K...A...V......L.......D...A.......E........G....Teyn..P......A................... +..........Saw....R.......V.......W......V...L....M.......S......E.....I........S....E.........T..... +.H..........W..........G........A..........A........G......E........-....-...-- +>SRR 37 0.222 2.559E+00 0 57 59 54 125 137 +P.L...V..E..M.....S.....F........P.......V........Gv......L.......T....L.......D.......Q.....K....A. +A..MI....KS...V.T.D...V...V......R.......G...A.......M........K....L.....P......P................... +..........Dpar...K.......L.......F......V...E....I.......F......E.....T........P....G.........G..... +.G..........F..........G........Vtakvvvvp..G........Gky....R........P....A...P- +>SRR 36 0.141 3.528E+00 0 54 59 15 99 112 +P.L...V..E..I.....D.....L........L.......E........A.......W.......A....P.......D.......Q.....I....D. +A..IA....DA...I.H.E...A...M......V.......E...T.......L........G....V.....P......Eraagrdsatkqhfysrfaa +llaeratvqsA......D.......L.......T......A...V....L.......V......E.....N........S....R.........D..... +.D..........W..........S........F..........Gm.......G......Q........-....-...-- diff --git a/test/files/annotation_label_width/test_fab41_nostructureviewers.txt b/test/files/annotation_label_width/test_fab41_nostructureviewers.txt new file mode 100644 index 0000000..b40c4e2 --- /dev/null +++ b/test/files/annotation_label_width/test_fab41_nostructureviewers.txt @@ -0,0 +1,15 @@ +--nonews +--nosplash +--open=./test/files/annotation_label_width/sample.a2m +--colour=gecos:flower +--gui +--structure=[structureviewer=none]./examples/test_fab41.result/test_fab41_unrelaxed_rank_1_model_3.pdb +--paematrix=./examples/test_fab41.result/test_fab41_unrelaxed_rank_1_model_3_scores.json +--structure=[structureviewer=none]./examples/test_fab41.result/test_fab41_unrelaxed_rank_2_model_4.pdb +--paematrix=./examples/test_fab41.result/test_fab41_unrelaxed_rank_2_model_4_scores.json +--structure=[structureviewer=none]./examples/test_fab41.result/test_fab41_unrelaxed_rank_3_model_2.pdb +--paematrix=./examples/test_fab41.result/test_fab41_unrelaxed_rank_3_model_2_scores.json +--structure=[structureviewer=none]./examples/test_fab41.result/test_fab41_unrelaxed_rank_4_model_5.pdb +--paematrix=./examples/test_fab41.result/test_fab41_unrelaxed_rank_4_model_5_scores.json +--structure=[structureviewer=none]./examples/test_fab41.result/test_fab41_unrelaxed_rank_5_model_1.pdb +--paematrix=./examples/test_fab41.result/test_fab41_unrelaxed_rank_5_model_1_scores.json -- 1.7.10.2