33 |
|
|
34 |
|
} |
35 |
|
else{ |
36 |
+ |
|
37 |
|
indexOfAllZConsMols = index->getIndexData(); |
38 |
+ |
|
39 |
+ |
//the maximum value of index is the last one(we sorted the index data in SimSetup.cpp) |
40 |
+ |
int maxIndex; |
41 |
+ |
int totalNumMol; |
42 |
+ |
|
43 |
+ |
maxIndex = indexOfAllZConsMols[indexOfAllZConsMols.size() - 1]; |
44 |
+ |
|
45 |
+ |
#ifndef IS_MPI |
46 |
+ |
totalNumMol = nMols; |
47 |
+ |
#else |
48 |
+ |
totalNumMol = mpiSim->getTotNmol(); |
49 |
+ |
#endif |
50 |
+ |
|
51 |
+ |
if(maxIndex > totalNumMol - 1){ |
52 |
+ |
sprintf( painCave.errMsg, |
53 |
+ |
"ZConstraint error: index is out of range\n"); |
54 |
+ |
painCave.isFatal = 1; |
55 |
+ |
simError(); |
56 |
+ |
|
57 |
+ |
} |
58 |
+ |
|
59 |
|
} |
60 |
|
|
61 |
|
} |