Changeset da83f8 for molecuilder/src

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

Location:

molecuilder/src

Files:

• Makefile.am (modified) (1 diff)
• helpers.cpp (modified) (1 diff)
• helpers.hpp (modified) (1 diff)
• molecules.cpp (modified) (1 diff)

molecuilder/src/Makefile.am

@@ -8 +8 @@
 joiner_SOURCES = joiner.cpp parser.cpp helpers.cpp verbose.cpp helpers.hpp parser.hpp
 analyzer_SOURCES = analyzer.cpp parser.cpp datacreator.cpp helpers.cpp verbose.cpp helpers.hpp parser.hpp datacreator.hpp 
-#molecuilder_CXXFLAGS = -cc=/opt/packages/gcc-4.0.2/bin/gcc  -g -O -march=nocona -Wall -DBIGENDIAN=0
-molecuilder_CXXFLAGS = -g3 -march=nocona -Wall -DBIGENDIAN=0
-joiner_CXXFLAGS = -g3 -march=nocona -Wall -DBIGENDIAN=0
-analyzer_CXXFLAGS = -g3 -march=nocona -Wall -DBIGENDIAN=0
+molecuilder_CXXFLAGS = -march=nocona -Wall -DBIGENDIAN=0
+joiner_CXXFLAGS = -march=nocona -Wall -DBIGENDIAN=0
+analyzer_CXXFLAGS = -march=nocona -Wall -DBIGENDIAN=0
 
 #EXTRA_DIST = ${molecuilder_DATA}

molecuilder/src/helpers.cpp

@@ -23 +23 @@
 };
 
+/** Output of a debug message to stderr.
+ * \param *P Problem at hand, points to ParallelSimulationData#me
+ * \param output output string
+ */
+#ifdef HAVE_DEBUG
+void debug_in(const char *output, const char *file, const int line) {
+  if (output) fprintf(stderr,"DEBUG: in %s at line %i: %s\n", file, line, output);
+}
+#else
+void debug_in(const char *output, const char *file, const int line) {}  // print nothing
+#endif
 
 /** Wrapper for allocating'ing a memory range with *output if it fails.

molecuilder/src/helpers.hpp

@@ -22 +22 @@
 
 /********************************************** helpful functions *********************************/
+
+// taken out of TREMOLO
+/*@-namechecks@*/
+#ifndef __GNUC__
+# undef __attribute__
+# define __attribute__(x)
+#endif
+/*@=namechecks@*/
+
+/* Behandelt aufgetretene Fehler. error ist der Fehlertyp(enum Errors)
+   void *SpecialData ist ein untypisierter Zeiger auf Spezielle Daten zur Fehlerbehandlung.
+   Man koennte auch noch einen Zeiger auf eine Funktion uebergeben */
+extern void /*@exits@*/ debug(const char *output);
+  //__attribute__ ((__return__));
+#define debug(data) debug_in((data), __FILE__, __LINE__)
+
+extern void /*@exits@*/ debug_in(const char *output,
+    const char *file, const int line);
+  //__attribute__ ((__return__));
 
 double ask_value(const char *text);

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);