Changeset 8449ed for molecuilder/src

Timestamp:

May 5, 2008, 4:54:44 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

0e8321

Parents:

115bf4

Message:

joiner crashed due to incorrect destructing of MatrixContainer, analyzer did not initialise KeySets in ParseKeySets

joiner crashed as ParseMatrix would return without free'ing initialized Matrix and RowCounter when suffix file cannot be opened. Now, they are initialized in such a manner that ~MatrixContainer recognizes and free's them
analyzer would stumble afgter parsing keysets on the order, as he was looking for -1 to which KeySets was not properly initialized but what should be read from KeySets file.
Also, analyzer would parse the final tab as a number which rendered nonsense. Hence, StoreKeySetFile does not ptroduce a tab after last entry per line anymore

File:

• molecuilder/src/parser.cpp (modified) (5 diffs)

molecuilder/src/parser.cpp

@@ -63 +63 @@
  */
 MatrixContainer::~MatrixContainer() {
-  if (Matrix != NULL)
+  if (Matrix != NULL) {
     for(int i=0;i<MatrixCounter;i++) {
-      if (RowCounter != NULL)
-        for(int j=0;j<=RowCounter[i];j++)
-          Free((void **)&Matrix[i][j], "MatrixContainer::~MatrixContainer: *Matrix[][]");
-      Free((void **)&Matrix[i], "MatrixContainer::~MatrixContainer: **Matrix[]");
-    }
-  if ((RowCounter != NULL) && (Matrix[MatrixCounter] != NULL))
-    for(int j=0;j<=RowCounter[MatrixCounter];j++)
-      Free((void **)&Matrix[MatrixCounter][j], "MatrixContainer::~MatrixContainer: *Matrix[MatrixCounter][]");
-  if (MatrixCounter != 0)
-    Free((void **)&Matrix[MatrixCounter], "MatrixContainer::~MatrixContainer: **Matrix[MatrixCounter]");
-  Free((void **)&Matrix, "MatrixContainer::~MatrixContainer: ***Matrix");
-  
+      if (RowCounter != NULL) {
+          for(int j=0;j<=RowCounter[i];j++)
+            Free((void **)&Matrix[i][j], "MatrixContainer::~MatrixContainer: *Matrix[][]");
+        Free((void **)&Matrix[i], "MatrixContainer::~MatrixContainer: **Matrix[]");
+      }
+    }
+    if ((RowCounter != NULL) && (Matrix[MatrixCounter] != NULL))
+      for(int j=0;j<=RowCounter[MatrixCounter];j++)
+        Free((void **)&Matrix[MatrixCounter][j], "MatrixContainer::~MatrixContainer: *Matrix[MatrixCounter][]");
+    if (MatrixCounter != 0)
+      Free((void **)&Matrix[MatrixCounter], "MatrixContainer::~MatrixContainer: **Matrix[MatrixCounter]");
+    Free((void **)&Matrix, "MatrixContainer::~MatrixContainer: ***Matrix");
+  }
   if (Indices != NULL)
     for(int i=0;i<=MatrixCounter;i++) {
@@ -101 +102 @@
   char *FragmentNumber = NULL;
   stringstream line;
-  double tmp;  
   
   Header = (char *) Malloc(sizeof(char)*1023, "MatrixContainer::ParseMatrix: *EnergyHeader");
@@ -123 +123 @@
   Matrix = (double ***) Malloc(sizeof(double **)*(MatrixCounter+1), "MatrixContainer::ParseMatrix: ***Matrix"); // one more each for the total molecule
   RowCounter = (int *) Malloc(sizeof(int)*(MatrixCounter+1), "MatrixContainer::ParseMatrix: *RowCounter");
+  for(int i=0;i<=MatrixCounter;i++) {
+    Matrix[i] = NULL;
+    RowCounter[i] = -1;
+  }
   for(int i=0;i<=MatrixCounter;i++) {
     // energy
@@ -498 +502 @@
   cout << "Parsing key sets." << endl;
   KeySets = (int **) Malloc(sizeof(int *)*FragmentCounter, "KeySetsContainer::ParseKeySets: **KeySets");
+  for(int i=0;i<FragmentCounter;i++)
+    KeySets[i] = NULL;
   line << name << FRAGMENTPREFIX << KEYSETFILE;
   input.open(line.str().c_str(), ios::in);
@@ -511 +517 @@
     // parse the values
     KeySets[i] = (int *) Malloc(sizeof(int)*AtomCounter[i], "KeySetsContainer::ParseKeySets: *KeySets[]");
+    for(int j=0;j<AtomCounter[i];j++)
+      KeySets[i][j] = -1;
     FragmentNumber = FixedDigitNumber(FragmentCounter, i);
     cout << FRAGMENTPREFIX << FragmentNumber << "[" << AtomCounter[i] << "]:";