pub_soft/rdkit
3
0
Fork 0
mirror of https://github.com/rdkit/rdkit.git synced 2026-06-04 21:54:27 +08:00
Code Issues Packages Projects Releases Wiki Activity

add CalcBitmapPopcount()

Browse Source
This commit is contained in:
Greg Landrum
2016-01-02 02:46:06 +01:00
parent 08ce5a287d
commit 72ab79508e
2 changed files with 22 additions and 0 deletions
Download Patch File Download Diff File Expand all files Collapse all files

18
Code/DataStructs/BitOps.cpp
View File

@@ -800,6 +800,24 @@ static int byte_popcounts[] = {
4, 5, 5, 6, 5, 6, 6, 7, 3, 4, 4, 5, 4, 5, 5, 6, 4, 5, 5, 6, 5, 6, 6, 7,
4, 5, 5, 6, 5, 6, 6, 7, 5, 6, 6, 7, 6, 7, 7, 8};
}
unsigned int CalcBitmapPopcount(const unsigned char* afp, unsigned int nBytes) {
PRECONDITION(afp, "no afp");
unsigned int popcount = 0;
#ifndef USE_BUILTIN_POPCOUNT
for (unsigned int i = 0; i < nBytes; i++) {
popcount += byte_popcounts[afp[i]]
}
#else
unsigned int eidx = nBytes / sizeof(unsigned int);
for (unsigned int i = 0; i < eidx; ++i) {
popcount += __builtin_popcount(((unsigned int*)afp)[i]);
}
for (unsigned int i = eidx * sizeof(unsigned int); i < nBytes; ++i) {
popcount += byte_popcounts[afp[i]];
}
#endif
return popcount;
}
double CalcBitmapTanimoto(const unsigned char* afp, const unsigned char* bfp,
unsigned int nBytes) {
PRECONDITION(afp, "no afp");