Changeset 7b1cea for molecuilder/src/moleculelist.cpp

Timestamp:

Apr 29, 2008, 7:04:59 AM (18 years ago)

Author:

Frederik Heber <heber@…>

Children:

2456db

Parents:

36b128

Message:

configname is also stored in config structure, GetDefaultPath by config::configpath replaced

This stores fragment and affiliated files in same dir as the config, regardless of therein contained paths and is safer and makes the tests work.

File:

• molecuilder/src/moleculelist.cpp (modified) (3 diffs)

molecuilder/src/moleculelist.cpp

@@ -319 +319 @@
   for(int i=0;i<NumberOfMolecules;i++) {
     //if (TEList[i] != 0) {
-      strcpy(PathBackup, configuration->GetDefaultPath());
+      strcpy(PathBackup, configuration->configpath);
 
       // scan all atoms in the current molecule for their fathers and write each vertex index to forces file
@@ -349 +349 @@
       sprintf(FragmentName, "%s/%s%s.conf", PathBackup, prefix, FragmentNumber);
       outputFragment.open(FragmentName, ios::out);
-      strcpy(PathBackup, configuration->GetDefaultPath());
+      strcpy(PathBackup, configuration->configpath);
       sprintf(FragmentName, "%s/%s%s/", PathBackup, prefix, FragmentNumber);
       
@@ -383 +383 @@
     }
 
-  strcpy(PathBackup, configuration->GetDefaultPath());
+  strcpy(PathBackup, configuration->configpath);
   // open file for the total energy factor
   sprintf(TEFilename, "%s/%s%s", PathBackup, prefix, TEFACTORSFILE);