Changeset f75030 for molecuilder/src/vector.cpp

Timestamp:

May 23, 2008, 9:17:19 AM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

6145aa7

Parents:

6c96f4

Message:

Lots of for loops now count in reverse order where it does not matter, some 3 -> NDIM

for(i=0;i<var;i++) is slower than for (i=var;i--;) if the order of the i's is not important (note: i-- is also a value and it stops when on i == 0 automatically)
in builder.cpp there were some remnant 3 actually meant to be NDIM

File:

• molecuilder/src/vector.cpp (modified) (24 diffs)

molecuilder/src/vector.cpp

@@ -25 +25 @@
 {
   double res = 0.;
-  for (int i=0;i<NDIM;i++)
+  for (int i=NDIM;i--;)
     res += (x[i]-y->x[i])*(x[i]-y->x[i]);
   return (res);  
@@ -55 +55 @@
         // create the translation vector
         TranslationVector.Zero();
-        for (int i=0;i<NDIM;i++)
+        for (int i=NDIM;i--;)
           TranslationVector.x[i] = (double)N[i];
         TranslationVector.MatrixMultiplication(matrix);
@@ -84 +84 @@
   TestVector.CopyVector(this);
   TestVector.InverseMatrixMultiplication(matrix);
-  for(int i=0;i<NDIM;i++) { // correct periodically
+  for(int i=NDIM;i--;) { // correct periodically
     if (TestVector.x[i] < 0) {  // get every coefficient into the interval [0,1)
       TestVector.x[i] += ceil(TestVector.x[i]);
@@ -106 +106 @@
 {
   double res = 0.;
-  for (int i=0;i<NDIM;i++)
+  for (int i=NDIM;i--;)
     res += x[i]*y->x[i];
   return (res);  
@@ -126 +126 @@
 {
   double res = 0.;
-  for (int i=0;i<NDIM;i++)
+  for (int i=NDIM;i--;)
     res += this->x[i]*this->x[i];
   return (sqrt(res));  
@@ -136 +136 @@
 {
   double res = 0.;
-  for (int i=0;i<NDIM;i++)
+  for (int i=NDIM;i--;)
     res += this->x[i]*this->x[i];
   res = 1./sqrt(res);
@@ -146 +146 @@
 void vector::Zero()
 {
-  for (int i=0;i<NDIM;i++)
+  for (int i=NDIM;i--;)
     this->x[i] = 0.;
 };
@@ -259 +259 @@
 void vector::Scale(double **factor)
 {
-  for (int i=0;i<NDIM;i++)
+  for (int i=NDIM;i--;)
     x[i] *= (*factor)[i];
 };
@@ -265 +265 @@
 void vector::Scale(double *factor)
 {
-  for (int i=0;i<NDIM;i++)
+  for (int i=NDIM;i--;)
     x[i] *= *factor;
 };
@@ -271 +271 @@
 void vector::Scale(double factor)
 {
-  for (int i=0;i<NDIM;i++)
+  for (int i=NDIM;i--;)
     x[i] *= factor;
 };
@@ -280 +280 @@
 void vector::Translate(const vector *trans)
 {
-  for (int i=0;i<NDIM;i++)
+  for (int i=NDIM;i--;)
     x[i] += trans->x[i];
 }; 
@@ -295 +295 @@
   C.x[2] = M[2]*x[0]+M[5]*x[1]+M[8]*x[2];
   // transfer the result into this
-  for (int i=0;i<NDIM;i++)
+  for (int i=NDIM;i--;)
     x[i] = C.x[i];
 };
@@ -327 +327 @@
     C.x[2] = B[2]*x[0]+B[5]*x[1]+B[8]*x[2];
     // transfer the result into this
-    for (int i=0;i<NDIM;i++)
+    for (int i=NDIM;i--;)
       x[i] = C.x[i];
   } else {
@@ -344 +344 @@
 void vector::LinearCombinationOfVectors(const vector *x1, const vector *x2, const vector *x3, double *factors)
 {
-  for(int i=0;i<NDIM;i++)
+  for(int i=NDIM;i--;)
     x[i] = factors[0]*x1->x[i] + factors[1]*x2->x[i] + factors[2]*x3->x[i]; 
 };
@@ -359 +359 @@
   Output((ofstream *)&cout);
   cout << "\t";
-  for (int i=0;i<NDIM;i++)
+  for (int i=NDIM;i--;)
     x[i] -= 2.*projection*n->x[i];
   cout << "Projected vector: ";
@@ -446 +446 @@
   x1.Scale(x1.Projection(this));
   SubtractVector(&x1);
-  for (int i=0;i<NDIM;i++)
+  for (int i=NDIM;i--;)
           result = result || (fabs(x[i]) > MYEPSILON);
 
@@ -468 +468 @@
   vector->Output((ofstream *)&cout);
   cout << endl;
-  for (j=0;j<NDIM;j++)
+  for (j=NDIM;j--;)
     Components[j] = -1;
   // find two components != 0
@@ -537 +537 @@
          par.num = num;
         
-         for (i=0;i<NDIM;i++)
+         for (i=NDIM;i--;)
                 gsl_vector_set(x, i, (vectors[0]->x[i] - vectors[1]->x[i])/2.); 
          
@@ -573 +573 @@
    while (status == GSL_CONTINUE && iter < 100);
  
-  for (i=0;i<(size_t)np;i++)
+  for (i=(size_t)np;i--;)
     this->x[i] = gsl_vector_get(s->x, i);
    gsl_vector_free(x);
@@ -587 +587 @@
 void vector::AddVector(const vector *y)
 {
-  for (int i=0;i<NDIM;i++)
+  for (int i=NDIM;i--;)
     this->x[i] += y->x[i];
 }
@@ -596 +596 @@
 void vector::SubtractVector(const vector *y)
 {
-  for (int i=0;i<NDIM;i++)
+  for (int i=NDIM;i--;)
     this->x[i] -= y->x[i];
 }
@@ -605 +605 @@
 void vector::CopyVector(const vector *y)
 {
-  for (int i=0;i<NDIM;i++)
+  for (int i=NDIM;i--;)
     this->x[i] = y->x[i];
 }
@@ -783 +783 @@
     cout << Verbose(2) << i << ": sign matrix is " << sign[0] << "\t" << sign[1] << "\t" << sign[2] << "\n";
     // apply sign matrix 
-    for (j=0;j<NDIM;j++)
+    for (j=NDIM;j--;)
       x[j] *= sign[j];
     // calculate angle and check
@@ -792 +792 @@
     }
     // unapply sign matrix (is its own inverse)
-    for (j=0;j<NDIM;j++)
+    for (j=NDIM;j--;)
       x[j] *= sign[j];
   }