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// $Id: types.cpp 1625 2011-01-13 04:22:56Z glandrum $
//
// Copyright 2001-2006
// Rational Discovery LLC
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
//
#include "types.h"
namespace RDKit{
// template <typename T>
// T larger_of(T arg1,T arg2) { return arg1>arg2 ? arg1 : arg2; };
double round(double num){
double floorVal = floor(num);
double ceilVal = ceil(num);
return num-floorVal > ceilVal-num ? ceilVal : floorVal;
};
void Union(const INT_VECT &r1, const INT_VECT &r2, INT_VECT &res) {
res.resize(0);
res = r1;
INT_VECT_CI ri;
for (ri = r2.begin(); ri != r2.end(); ri++) {
if (std::find(res.begin(), res.end(), (*ri)) == res.end()){
res.push_back(*ri);
}
}
}
void Intersect(const INT_VECT &r1, const INT_VECT &r2, INT_VECT &res) {
res.resize(0);
INT_VECT_CI ri;
for (ri = r1.begin(); ri != r1.end(); ri++) {
if (std::find(r2.begin(), r2.end(), (*ri)) != r2.end()){
res.push_back(*ri);
}
}
}
void Union(const VECT_INT_VECT &rings, INT_VECT &res, const INT_VECT *exclude) {
res.resize(0);
INT_VECT ring;
unsigned int id;
unsigned int nrings = static_cast<unsigned int>(rings.size());
INT_VECT_CI ri;
for (id = 0; id < nrings; id++) {
if (exclude) {
if (std::find(exclude->begin(), exclude->end(), static_cast<int>(id)) != exclude->end()) {
continue;
}
}
ring = rings[id];
for (ri = ring.begin(); ri != ring.end(); ri++) {
if (std::find(res.begin(), res.end(), (*ri)) == res.end()) {
res.push_back(*ri);
}
}
}
}
int nextCombination(INT_VECT &comb, int tot) {
int nelem = static_cast<int>(comb.size());
int celem = nelem - 1;
while (comb[celem] == (tot - nelem + celem)) {
celem--;
if (celem < 0) {
return -1;
}
}
unsigned int i;
comb[celem] += 1;
for (i = celem+1; i < comb.size(); i++) {
comb[i] = comb[i-1] + 1;
}
return celem;
}
}
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