Changeset f75030 for molecuilder/src/analyzer.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/analyzer.cpp (modified) (2 diffs)

molecuilder/src/analyzer.cpp

@@ -93 +93 @@
   output << endl << "Total Times" << endl << "===============" << endl << Time.Header << endl;
   Time.SetLastMatrix(0., 0);
-  for (int BondOrder=0;BondOrder<KeySet.Order;BondOrder++)
-    for(int i=0;i<KeySet.FragmentsPerOrder[BondOrder];i++)
-      for(int j=0;j<Time.RowCounter[Time.MatrixCounter];j++)
-        for(int k=0;k<Time.ColumnCounter;k++) {
+  for (int BondOrder=KeySet.Order;BondOrder--;)
+    for(int i=KeySet.FragmentsPerOrder[BondOrder];i--;)
+      for(int j=Time.RowCounter[Time.MatrixCounter];j--;)
+        for(int k=Time.ColumnCounter;k--;) {
           Time.Matrix[ Time.MatrixCounter ][j][k] += Time.Matrix[ KeySet.OrderSet[BondOrder][i] ][j][k];
         }
@@ -118 +118 @@
   output << "#Order\tFrag.No.\t" << Time.Header << endl;
   for (int BondOrder=0;BondOrder<KeySet.Order;BondOrder++) {
-    for(int i=0;i<KeySet.FragmentsPerOrder[BondOrder];i++)
-      for(int j=0;j<Time.RowCounter[Time.MatrixCounter];j++)
-        for(int k=0;k<Time.ColumnCounter;k++) {
+    for(int i=KeySet.FragmentsPerOrder[BondOrder];i--;)
+      for(int j=Time.RowCounter[Time.MatrixCounter];j--;)
+        for(int k=Time.ColumnCounter;k--;) {
           Time.Matrix[ Time.MatrixCounter ][j][k] += Time.Matrix[ KeySet.OrderSet[BondOrder][i] ][j][k];
         }