Changeset 375dcf for molecuilder/src/parser.hpp

Timestamp:

Jun 27, 2008, 9:14:58 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

74baec

Parents:

d7b1bf

git-author:

Frederik Heber <heber@…> (06/27/08 21:12:52)

git-committer:

Frederik Heber <heber@…> (06/27/08 21:14:58)

Message:

introduced shieldings to analyzer and joiner

both now handle pcp.sigma_all...csv files just as pcp.forces.all. Therefore the data format in pcp/perturbed.c was adapted a bit, as we need a header.
periodentafel.hpp got periodentafel and element class from molecules.hpp

File:

• molecuilder/src/parser.hpp (modified) (2 diffs)

molecuilder/src/parser.hpp

@@ -20 +20 @@
 #define EnergySuffix ".energy.all"
 #define ForcesSuffix ".forces.all"
+#define ShieldingSuffix ".sigma_all.csv"
+#define ShieldingPASSuffix ".sigma_all_PAS.csv"
+#define ShieldingFragmentSuffix ".sigma_all_fragment.all"
+#define ShieldingPASFragmentSuffix ".sigma_all_PAS_fragment.all"
 #define TimeSuffix ".speed"
 #define EnergyFragmentSuffix ".energyfragment.all"
@@ -27 +31 @@
 // ======================================= FUNCTIONS ==========================================
 
-#ifdef HAVE_INLINE
-inline bool FilePresent(const char *filename);
-#else
-bool FilePresent(const char *filename);
-#endif
-
+bool FilePresent(const char *filename, bool test);
 bool TestParams(int argc, char **argv);