Changeset 1f9f1b for molecuilder/src/periodentafel.cpp

Timestamp:

Jun 16, 2008, 2:09:27 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

b73d28

Parents:

0779a9

Message:

BUGFIX: If other databases could not be loaded, no error was produced, resulting in strange behaviour of the fragmentation routine.

Now an error message is produced, though we still continue. The problem was the switch in handling const char * and a huge mess in LoadPeriodenTafel() with strncat and strncpy.

File:

• molecuilder/src/periodentafel.cpp (modified) (8 diffs)

molecuilder/src/periodentafel.cpp

@@ -217 +217 @@
 
   // fill valence DB per element
-  strncat(filename, path, MAXSTRINGSIZE);
-  strncpy(filename, STANDARDVALENCEDB, MAXSTRINGSIZE-strlen(filename));
+  strncpy(filename, path, MAXSTRINGSIZE);
+  strncat(filename, "/", MAXSTRINGSIZE-strlen(filename));
+  strncat(filename, STANDARDVALENCEDB, MAXSTRINGSIZE-strlen(filename));
   infile.open(filename);
   if (infile != NULL) {
@@ -226 +227 @@
         infile >> FindElement((int)tmp)->Valence;
         infile >> ws;
-        //cout << Verbose(3) << "Element " << (int)tmp << " has " << find_element((int)tmp)->Valence << " valence electrons." << endl;
+        //cout << Verbose(3) << "Element " << (int)tmp << " has " << FindElement((int)tmp)->Valence << " valence electrons." << endl;
     }
     infile.close();
@@ -234 +235 @@
 
   // fill valence DB per element
-  strncat(filename, path, MAXSTRINGSIZE);
-  strncpy(filename, STANDARDORBITALDB, MAXSTRINGSIZE-strlen(filename));
+  strncpy(filename, path, MAXSTRINGSIZE);
+  strncat(filename, "/", MAXSTRINGSIZE-strlen(filename));
+  strncat(filename, STANDARDORBITALDB, MAXSTRINGSIZE-strlen(filename));
   infile.open(filename);
   if (infile != NULL) {
@@ -243 +245 @@
       infile >> FindElement((int)tmp)->NoValenceOrbitals;
       infile >> ws;
-      //cout << Verbose(3) << "Element " << (int)tmp << " has " << find_element((int)tmp)->NoValenceOrbitals << " number of singly occupied valence orbitals." << endl;
+      //cout << Verbose(3) << "Element " << (int)tmp << " has " << FindElement((int)tmp)->NoValenceOrbitals << " number of singly occupied valence orbitals." << endl;
     }
     infile.close();
@@ -251 +253 @@
   
   // fill H-BondDistance DB per element
-  strncat(filename, path, MAXSTRINGSIZE);
-  strncpy(filename, STANDARDHBONDDISTANCEDB, MAXSTRINGSIZE-strlen(filename));
+  strncpy(filename, path, MAXSTRINGSIZE);
+  strncat(filename, "/", MAXSTRINGSIZE-strlen(filename));
+  strncat(filename, STANDARDHBONDDISTANCEDB, MAXSTRINGSIZE-strlen(filename));
   infile.open(filename);
   if (infile != NULL) {
@@ -263 +266 @@
       infile >> ptr->HBondDistance[2];
         infile >> ws;
-      //cout << Verbose(3) << "Element " << (int)tmp << " has " << find_element((int)tmp)->HBondDistance[0] << " Angstrom typical distance to hydrogen." << endl;
+      //cout << Verbose(3) << "Element " << (int)tmp << " has " << FindElement((int)tmp)->HBondDistance[0] << " Angstrom typical distance to hydrogen." << endl;
     }
     infile.close();
@@ -271 +274 @@
   
   // fill H-BondAngle DB per element
-  strncat(filename, path, MAXSTRINGSIZE);
-  strncpy(filename, STANDARDHBONDANGLEDB, MAXSTRINGSIZE-strlen(filename));
+  strncpy(filename, path, MAXSTRINGSIZE);
+  strncat(filename, "/", MAXSTRINGSIZE-strlen(filename));
+  strncat(filename, STANDARDHBONDANGLEDB, MAXSTRINGSIZE-strlen(filename));
   infile.open(filename);
   if (infile != NULL) {
@@ -288 +292 @@
   } else
     otherstatus = false;
+  
+  if (!otherstatus)
+    cerr << "ERROR: Something went wrong while parsing the databases!" << endl;
   
   return status;