Changeset 7b1cea for molecuilder/src/molecules.cpp

Timestamp:

Apr 29, 2008, 7:04:59 AM (17 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/molecules.cpp (modified) (2 diffs)

molecuilder/src/molecules.cpp

@@ -2093 +2093 @@
     status = false;
   }
-  status = status && CheckAdjacencyFileAgainstMolecule(out, configuration->GetDefaultPath(), ListOfAtoms); 
+  status = status && CheckAdjacencyFileAgainstMolecule(out, configuration->configpath, ListOfAtoms); 
   if (status) {  // NULL entries in ListOfAtoms contain NonMatches
-    status = status && ParseKeySetFile(out, configuration->GetDefaultPath(), ListOfAtoms, FragmentList, configuration->GetIsAngstroem());
+    status = status && ParseKeySetFile(out, configuration->configpath, ListOfAtoms, FragmentList, configuration->GetIsAngstroem());
   }
   Free((void **)&ListOfAtoms, "molecule::FragmentMolecule - **ListOfAtoms");
@@ -2102 +2102 @@
   if (!status) {
     // === store Adjacency file ===
-    StoreAdjacencyToFile(out, configuration->GetDefaultPath());
+    StoreAdjacencyToFile(out, configuration->configpath);
 
     // === first perform a DFS analysis to gather info on cyclic structure and a list of disconnected subgraphs ===