Changeset da83f8 for molecuilder/src/molecules.cpp

Timestamp:

Apr 24, 2008, 1:52:02 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

bd7b85

Parents:

054af7

Message:

added --enable-optimization, thrown -g -O specifics out of Makefile.am's

--enable-optimization is added to each configure.ac and is linked with --enable-debug (no debug and optimization at the same time, debug is normally off and -O2 on), implemented via C(XX)FLAGS
Henceforth, -g, -O and -cc=... specifics are thrown out of the Makefile.am's, so that the optimiziation and debugging is streamlined throughout the whole package

File:

• molecuilder/src/molecules.cpp (modified) (1 diff)

molecuilder/src/molecules.cpp ¶

@@ -1871 +1871 @@
   MoleculeLeafClass *Subgraphs = NULL;      // list of subgraphs from DFS analysis
 
+#ifdef ADDHYDROGEN
+  debug("Test");
+  cout << Verbose(0) << "I will treat hydrogen special and saturate dangling bonds with it." << endl;
+#else
+  debug("Test2");
+  cout << Verbose(0) << "Hydrogen is treated just like the rest of the lot." << endl;
+#endif
+  
   CreateListOfBondsPerAtom(out);