Changeset 6a314f for molecuilder/src/vector.cpp

Timestamp:

Apr 29, 2010, 4:03:30 PM (16 years ago)

Author:

Tillmann Crueger <crueger@…>

Children:

465abf

Parents:

16eb32

Message:

FIX: Bug that caused memory corruption in Vector::GetOneNormalVector() when a two component system was given

File:

• molecuilder/src/vector.cpp (modified) (1 diff)

molecuilder/src/vector.cpp

@@ -647 +647 @@
   for (j=NDIM;j--;)
     Components[j] = -1;
+
+  // in two component-systems we need to find the one position that is zero
+  int zeroPos = -1;
   // find two components != 0
-  for (j=0;j<NDIM;j++)
+  for (j=0;j<NDIM;j++){
     if (fabs(GivenVector[j]) > MYEPSILON)
       Components[Last++] = j;
+    else
+      // this our zero Position
+      zeroPos = j;
+  }
 
   switch(Last) {
     case 3:  // threecomponent system
+      // the position of the zero is arbitrary in three component systems
+      zeroPos = Components[2];
     case 2:  // two component system
       norm = sqrt(1./(GivenVector[Components[1]]*GivenVector[Components[1]]) + 1./(GivenVector[Components[0]]*GivenVector[Components[0]]));
-      x[Components[2]] = 0.;
+      at(zeroPos) = 0.;
       // in skp both remaining parts shall become zero but with opposite sign and third is zero
-      x[Components[1]] = -1./GivenVector[Components[1]] / norm;
-      x[Components[0]] = 1./GivenVector[Components[0]] / norm;
+      at(Components[1]) = -1./GivenVector[Components[1]] / norm;
+      at(Components[0]) = 1./GivenVector[Components[0]] / norm;
       return true;
       break;
     case 1: // one component system
       // set sole non-zero component to 0, and one of the other zero component pendants to 1
-      x[(Components[0]+2)%NDIM] = 0.;
-      x[(Components[0]+1)%NDIM] = 1.;
-      x[Components[0]] = 0.;
+      at((Components[0]+2)%NDIM) = 0.;
+      at((Components[0]+1)%NDIM) = 1.;
+      at(Components[0]) = 0.;
       return true;
       break;