Changeset 203fe4 for src/bin/mpqc/mpqc.cc

Timestamp:

Jul 10, 2012, 1:15:46 PM (13 years ago)

Author:

Frederik Heber <heber@…>

Children:

d39b2b

Parents:

36d8ab

git-author:

Frederik Heber <heber@…> (07/06/12 18:09:17)

git-committer:

Frederik Heber <heber@…> (07/10/12 13:15:46)

Message:

Extracted setting of output base name into own function.

File:

• src/bin/mpqc/mpqc.cc (modified) (4 diffs)

src/bin/mpqc/mpqc.cc

@@ -357 +357 @@
 }
 
+/** Sets the base name of output files.
+ *
+ * \param input input file name
+ * \param output output file name
+ */
+void setOutputBaseName(const char *input, const char *output)
+{
+  const char *basename_source;
+  if (output) basename_source = output;
+  else        basename_source = input;
+  int nfilebase = (int) (::strrchr(basename_source, '.') - basename_source);
+  char *basename = new char[nfilebase + 1];
+  strncpy(basename, basename_source, nfilebase);
+  basename[nfilebase] = '\0';
+  SCFormIO::set_default_basename(basename);
+  delete[] basename;
+}
+
 int
 try_main(int argc, char *argv[])
@@ -478 +496 @@
 
   // get the basename for output files
-  const char *basename_source;
-  if (output) basename_source = output;
-  else        basename_source = input;
-  int nfilebase = (int) (::strrchr(basename_source, '.') - basename_source);
-  char *basename = new char[nfilebase + 1];
-  strncpy(basename, basename_source, nfilebase);
-  basename[nfilebase] = '\0';
-  SCFormIO::set_default_basename(basename);
+  setOutputBaseName(input, output);
 
   // set up output classes
@@ -645 +656 @@
   
   // check for a molecular energy and optimizer
+  const char *basename = SCFormIO::default_basename();
   KeyValValueString molnamedef(basename);
   char * molname = keyval->pcharvalue("filename", molnamedef);
@@ -1077 +1089 @@
   }
 
-
-  delete[] basename;
   delete[] molname;
   SCFormIO::set_default_basename(0);