From 29d2bf8d500b24dbba70de72b9ae364ac27f7254 Mon Sep 17 00:00:00 2001
From: Manuel Zingl <manuel.zingl@student.tugraz.at>
Date: Thu, 17 Sep 2015 10:03:07 +0200
Subject: [PATCH] sigma_from_file changed to read function of gf

        build_sigma_from_txt.py deleted as reading a gf
        from a file is now implemented in gf.local.tools
---
 python/build_sigma_from_txt.py |  77 ---------------------------------
 test/sigma_from_file.output.h5 | Bin 51312 -> 54112 bytes
 test/sigma_from_file.py        |   9 ++--
 3 files changed, 6 insertions(+), 80 deletions(-)
 delete mode 100644 python/build_sigma_from_txt.py

diff --git a/python/build_sigma_from_txt.py b/python/build_sigma_from_txt.py
deleted file mode 100644
index 6e64fc52..00000000
--- a/python/build_sigma_from_txt.py
+++ /dev/null
@@ -1,77 +0,0 @@
-import numpy
-import string
-from pytriqs.gf.local import *
-
-def read_fortran_file (filename):
-    """Returns a generator that yields all numbers in the Fortran file as float, one by one"""
-    import os.path
-    if not(os.path.exists(filename)) : raise IOError, "File %s does not exist."%filename
-    for line in open(filename,'r') :
-        for x in line.replace('D','E').split() :
-            yield string.atof(x)
-
-def line_count(fname):
-    """Counts the lines of a file"""
-    with open(fname) as f:
-        for i, l in enumerate(f):
-            pass
-    return i + 1
-        
-def constr_Sigma_real_axis(filename, gf_struct_orb, tol_mesh=1e-6):
-    """Uses Data from files to construct Sigma (or GF)  on the real axis."""
-
-    # first get the mesh out of any one of the files:
-    bl = gf_struct_orb.items()[0][0] # block name
-    ol = gf_struct_orb.items()[0][1] # list of orbital indices
-    if (len(ol)==1): # if blocks are of size one
-        Fname = filename+'_'+bl+'.dat'
-    else:
-        Fname = filename+'_'+bl+'/'+str(ol[0])+'_'+str(ol[0])+'.dat'
-
-    try:
-        n_om = line_count(Fname)
-        R = read_fortran_file(Fname)
-        mesh = numpy.zeros([n_om],numpy.float_)
-
-        for i in xrange(n_om):
-            mesh[i] = R.next()
-            sk = R.next()
-            sk = R.next()
-
-    except StopIteration : # a more explicit error if the file is corrupted.
-        raise "constr_Sigma_real_axis : reading mesh failed!"
-    R.close()
-
-    # check whether the mesh is uniform
-    bin = (mesh[n_om-1]-mesh[0])/(n_om-1)
-    for i in xrange(n_om):
-        assert abs(i*bin+mesh[0]-mesh[i]) < tol_mesh, 'constr_Sigma_real_axis: real-axis mesh is non-uniform!'
-
-    # construct Sigma
-    a_list = [a for a,al in gf_struct_orb.iteritems()]
-    glist = lambda : [ GfReFreq(indices = al, window=(mesh[0],mesh[n_om-1]),n_points=n_om) for a,al in gf_struct_orb.iteritems()]
-    SigmaME = BlockGf(name_list = a_list, block_list = glist(),make_copies=False)
-
-    #read Sigma
-    for i,g in SigmaME:
-        mesh=[w for w in g.mesh]
-        for iL in g.indices:
-            for iR in g.indices:
-                if (len(g.indices) == 1):
-                    Fname = filename+'_%s'%(i)+'.dat'
-                else:
-                    Fname = 'SigmaME_'+'%s'%(i)+'_%s'%(iL)+'_%s'%(iR)+'.dat'
-                R = read_fortran_file(Fname)
-                try:
-                    for iom in xrange(n_om):
-                        sk = R.next()
-                        rsig = R.next()
-                        isig = R.next()
-                        g.data[iom,iL,iR]=rsig+1j*isig
-                except StopIteration : # a more explicit error if the file is corrupted.
-                    raise "constr_Sigma_real_axis : reading Sigma from file failed!"
-                R.close()
-
-    SigmaME.note='ReFreq'
-
-    return SigmaME
diff --git a/test/sigma_from_file.output.h5 b/test/sigma_from_file.output.h5
index 47dee8e441915cc84633f83f40da6b72ae78e241..3381c3216f50c369e1ea413de37929bec06abab2 100644
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diff --git a/test/sigma_from_file.py b/test/sigma_from_file.py
index b033d9e9..fb5ffd82 100644
--- a/test/sigma_from_file.py
+++ b/test/sigma_from_file.py
@@ -1,7 +1,7 @@
 from pytriqs.archive import *
 from pytriqs.gf.local import *
+from pytriqs.gf.local.tools import *
 from pytriqs.applications.dft.sumk_dft_tools import *
-from pytriqs.applications.dft.build_sigma_from_txt import *
 import numpy as np
 
 # Read self energy from hdf file
@@ -19,12 +19,15 @@ for name, s in Sigma_hdf:
 
 # Read self energy from txt files
 SK = SumkDFTTools(hdf_file =  'SrVO3.h5', use_dft_blocks = True)
-Sigma_txt = constr_Sigma_real_axis(filename='Sigma', gf_struct_orb=SK.gf_struct_solver[0])
+
+a_list = [a for a,al in SK.gf_struct_solver[0].iteritems()]
+g_list = [read_gf_from_txt([['Sigma_' + a + '.dat']], a)  for a in a_list]
+Sigma_txt = BlockGf(name_list = a_list, block_list = g_list, make_copies=False)
+
 SK.put_Sigma(Sigma_imp = [Sigma_txt])
 
 SK.hdf_file = 'sigma_from_file.output.h5'
 SK.save(['Sigma_imp_w'])
 
-
 if ((Sigma_txt - Sigma_hdf).real < 1e-6) & ((Sigma_txt - Sigma_hdf).imag < 1e-6):
         print 'Conversion: HDF -> TRIQS -> TXT -> TRIQS successful!'