From 207c637be2172afd0e5cbcf68c6782fa36fa6f0d Mon Sep 17 00:00:00 2001
From: "Oleg E. Peil" <Oleg.Peil@unige.ch>
Date: Thu, 13 Aug 2015 11:50:49 +0200
Subject: [PATCH] Restructured text-output routines

'main()' now calls a function 'output_as_text()' responsible for storing
both a ctrl- and plo-files ('ctrl_output()' and 'plo_output()', respectively).
---
 python/converters/vasp/python/main.py     |  2 +-
 python/converters/vasp/python/plotools.py | 16 ++++++++++++++--
 2 files changed, 15 insertions(+), 3 deletions(-)

diff --git a/python/converters/vasp/python/main.py b/python/converters/vasp/python/main.py
index 1f075442..ae80e44d 100644
--- a/python/converters/vasp/python/main.py
+++ b/python/converters/vasp/python/main.py
@@ -24,4 +24,4 @@ if __name__ == '__main__':
     vasp_data = vaspio.VaspData(vasp_dir)
     el_struct = ElectronicStructure(vasp_data)
     pshells, pgroups = generate_ortho_plos(pars, el_struct)
-    plo_output(pars, el_struct, pshells, pgroups)
+    output_to_ascii(pars, el_struct, pshells, pgroups)
diff --git a/python/converters/vasp/python/plotools.py b/python/converters/vasp/python/plotools.py
index 78b40776..d25697c5 100644
--- a/python/converters/vasp/python/plotools.py
+++ b/python/converters/vasp/python/plotools.py
@@ -378,6 +378,7 @@ def ctrl_output(conf_pars, el_struct, ng):
     ctrl_fname = conf_pars.general['basename'] + '.ctrl'
     head_dict = {}
 
+# TODO: Add output of tetrahedra
 # Construct the header dictionary
     head_dict['ngroups'] = ng
     head_dict['nk'] = el_struct.kmesh['nktot']
@@ -407,7 +408,6 @@ def ctrl_output(conf_pars, el_struct, ng):
 # plo_output
 #
 ################################################################################
-# TODO: k-points with weights should be stored once and for all
 def plo_output(conf_pars, el_struct, pshells, pgroups):
     """
     Outputs PLO groups into text files.
@@ -444,5 +444,17 @@ def plo_output(conf_pars, el_struct, pshells, pgroups):
     ...
 
     """
-    ctrl_output(conf_pars, el_struct, len(pgroups))
+    pass
     
+################################################################################
+#
+# output_as_text
+#
+################################################################################
+def output_as_text(pars, el_struct, pshells, pgroups):
+    """
+    Output all information necessary for the converter as text files.
+    """
+    ctrl_output(conf_pars, el_struct, len(pgroups))
+    plo_output(conf_pars, el_struct, pshells, pgroups):
+