X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=binaries%2Fsrc%2Fdisembl%2FTisean_3.0.1%2Fsource_f%2Ftotospec.f;fp=binaries%2Fsrc%2Fdisembl%2FTisean_3.0.1%2Fsource_f%2Ftotospec.f;h=001a0497efd208cabbdeb21b098742a8755e5669;hb=a17c780665c109829426e062df4d75ff950725e0;hp=0000000000000000000000000000000000000000;hpb=f47da0247a9f9a8ac55571234064a0d3ded06b6c;p=jabaws.git

diff --git a/binaries/src/disembl/Tisean_3.0.1/source_f/totospec.f b/binaries/src/disembl/Tisean_3.0.1/source_f/totospec.f
new file mode 100644
index 0000000..001a049
--- /dev/null
+++ b/binaries/src/disembl/Tisean_3.0.1/source_f/totospec.f
@@ -0,0 +1,48 @@
+c===========================================================================
+c
+c   This file is part of TISEAN
+c 
+c   Copyright (c) 1998-2007 Rainer Hegger, Holger Kantz, Thomas Schreiber
+c 
+c   TISEAN is free software; you can redistribute it and/or modify
+c   it under the terms of the GNU General Public License as published by
+c   the Free Software Foundation; either version 2 of the License, or
+c   (at your option) any later version.
+c
+c   TISEAN is distributed in the hope that it will be useful,
+c   but WITHOUT ANY WARRANTY; without even the implied warranty of
+c   MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+c   GNU General Public License for more details.
+c
+c   You should have received a copy of the GNU General Public License
+c   along with TISEAN; if not, write to the Free Software
+c   Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA  02110-1301  USA
+c
+c===========================================================================
+c   Force x to have spectrum a (routine needed by surrogates.f)
+C   author Thomas Schreiber (1999)
+c===========================================================================
+      function totospec(nmax,a,x)
+      parameter(nx=1000000)
+      dimension x(nmax), a(nmax), w(nx), w1(nx), w2(nx), iw(15)
+      save w2, iw
+
+      if(nmax.gt.nx) stop "totospec: make nx larger."
+      do 10 n=1,nmax
+ 10      w(n)=x(n)
+      call rffti1(nmax,w2,iw)  
+      call rfftf1(nmax,x,w1,w2,iw)
+      do 20 n=1,nmax
+ 20      x(n)=x(n)/real(nmax)
+      x(1)=sqrt(a(1))
+      do 30 n=2,(nmax+1)/2
+         ab=a(2*n-2)/(x(2*n-2)**2+x(2*n-1)**2)
+         x(2*n-2)=x(2*n-2)*sqrt(ab)
+ 30      x(2*n-1)=x(2*n-1)*sqrt(ab)
+      if(mod(nmax,2).eq.0) x(nmax)=sqrt(a(nmax))
+      call rfftb1(nmax,x,w1,w2,iw)
+      totospec=0
+      do 40 n=1,nmax
+ 40      totospec=totospec+(x(n)-w(n))**2
+      totospec=sqrt(totospec/nmax)
+      end