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run clang-format with c++-11 style over that

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This commit is contained in:
Greg Landrum
2017-04-22 17:19:10 +02:00
parent 7c0bb0b743
commit 915cf08faa
134 changed files with 917 additions and 1086 deletions
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6
Code/GraphMol/Subgraphs/SubgraphUtils.cpp
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@@ -90,8 +90,8 @@ ROMol *pathToSubmol(const ROMol &mol, const PATH_TYPE &path, bool useQuery,
}
if (mol.getNumConformers()) {
// copy coordinates over:
for (auto confIt = mol.beginConformers();
confIt != mol.endConformers(); ++confIt) {
for (auto confIt = mol.beginConformers(); confIt != mol.endConformers();
++confIt) {
auto *conf = new Conformer(subMol->getNumAtoms());
conf->set3D((*confIt)->is3D());
for (INT_MAP_INT::const_iterator mapIt = atomIdxMap.begin();
@@ -228,7 +228,7 @@ PATH_LIST uniquifyPaths(const ROMol &mol, const PATH_LIST &allPaths,
bool useBO) {
PATH_LIST res;
std::vector<DiscrimTuple> discrimsSeen;
for (const auto & allPath : allPaths) {
for (const auto &allPath : allPaths) {
DiscrimTuple discrims = calcPathDiscriminators(mol, allPath, useBO);
if (std::find(discrimsSeen.begin(), discrimsSeen.end(), discrims) ==
discrimsSeen.end()) {

10
Code/GraphMol/Subgraphs/Subgraphs.cpp
View File

@@ -105,7 +105,7 @@ void recurseWalk(
// update a local stack before the next recursive call
INT_VECT tstack = cands;
for (int & bid : nbrs[next]) {
for (int &bid : nbrs[next]) {
if (!forbidden[bid]) {
tstack.push_back(bid);
}
@@ -164,7 +164,7 @@ void recurseWalkRange(
// update a local stack before the next recursive call
INT_VECT tstack = cands;
for (int & bid : nbrs[next]) {
for (int &bid : nbrs[next]) {
if (!forbidden[bid]) {
tstack.push_back(bid);
}
@@ -305,8 +305,7 @@ PATH_LIST findAllSubgraphsOfLengthN(const ROMol &mol, unsigned int targetLen,
PATH_LIST res;
// start paths at each bond:
for (auto nbi = nbrs.begin(); nbi != nbrs.end();
++nbi) {
for (auto nbi = nbrs.begin(); nbi != nbrs.end(); ++nbi) {
// don't come back to this bond in the later subgraphs
int i = (*nbi).first;
@@ -361,8 +360,7 @@ INT_PATH_LIST_MAP findAllSubgraphsOfLengthsMtoN(const ROMol &mol,
}
// start paths at each bond:
for (auto nbi = nbrs.begin(); nbi != nbrs.end();
nbi++) {
for (auto nbi = nbrs.begin(); nbi != nbrs.end(); nbi++) {
int i = (*nbi).first;
// if we're only returning paths rooted at a particular atom, check now