int CompareLinCtStereoCarb ( AT_STEREO_CARB *LinearCTStereoCarb1, int nLenLinearCTStereoCarb1,
AT_STEREO_CARB *LinearCTStereoCarb2, int nLenLinearCTStereoCarb2 )
{
int i, num, ret = 0;
/* compare stereocenters */
if ( LinearCTStereoCarb1 && LinearCTStereoCarb2 ) {
num = inchi_min(nLenLinearCTStereoCarb1, nLenLinearCTStereoCarb2);
for ( i = 0; i < num; i ++ ) {
if ( ret = (int)LinearCTStereoCarb1[i].at_num - (int)LinearCTStereoCarb2[i].at_num )
break;
if ( ret = (int)LinearCTStereoCarb1[i].parity - (int)LinearCTStereoCarb2[i].parity )
break;
}
if ( !ret ) {
ret = nLenLinearCTStereoCarb1 - nLenLinearCTStereoCarb2;
}
} else
if ( LinearCTStereoCarb1 && nLenLinearCTStereoCarb1 > 0 ) {
ret = 1;
} else
if ( LinearCTStereoCarb2 && nLenLinearCTStereoCarb2 > 0 ) {
ret = -1;
}
return ret;
}
int CompareLinCtStereoDble ( AT_STEREO_DBLE *LinearCTStereoDble1, int nLenLinearCTStereoDble1,
AT_STEREO_DBLE *LinearCTStereoDble2, int nLenLinearCTStereoDble2 )
{
int i, num, ret = 0;
/* compare double bonds */
if ( LinearCTStereoDble1 && LinearCTStereoDble2 ) {
num = inchi_min(nLenLinearCTStereoDble1, nLenLinearCTStereoDble2);
for ( i = 0; i < num; i ++ ) {
if ( ret = (int)LinearCTStereoDble1[i].at_num1 - (int)LinearCTStereoDble2[i].at_num1 )
break;
if ( ret = (int)LinearCTStereoDble1[i].at_num2 - (int)LinearCTStereoDble2[i].at_num2 )
break;
if ( ret = (int)LinearCTStereoDble1[i].parity - (int)LinearCTStereoDble2[i].parity )
break;
}
if ( !ret ) {
ret = nLenLinearCTStereoDble1 - nLenLinearCTStereoDble2;
}
} else
if ( LinearCTStereoDble1 && nLenLinearCTStereoDble1 > 0 ) {
ret = 1;
} else
if ( LinearCTStereoDble2 && nLenLinearCTStereoDble2 > 0 ) {
ret = -1;
}
return ret;
}
/* lexicographic compare */
int CompareNeighListLex( NEIGH_LIST pp1, NEIGH_LIST pp2, const AT_RANK *nRank)
{
int len1 = (int)*pp1++;
int len2 = (int)*pp2++;
int len = inchi_min( len1, len2 );
int diff = 0;
while ( len -- > 0 && !( diff = (int)nRank[*pp1++] - (int)nRank[*pp2++] ) )
;
return diff? diff : (len1 - len2);
}
/* lexicographic compare */
int CompareNeighListLexUpToMaxRank( NEIGH_LIST pp1, NEIGH_LIST pp2, const AT_RANK *nRank, AT_RANK nMaxAtNeighRank )
{
int len1 = (int)*pp1++;
int len2 = (int)*pp2++;
int diff = 0;
int len;
while( 0 < len1 && nRank[pp1[len1-1]] > nMaxAtNeighRank ) {
len1 --;
}
while( 0 < len2 && nRank[pp2[len2-1]] > nMaxAtNeighRank ) {
len2 --;
}
len = inchi_min( len1, len2 );
while ( len -- > 0 && !( diff = (int)nRank[*pp1++] - (int)nRank[*pp2++] ) )
;
return diff? diff : (len1 - len2);
}
