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All typedefs based on points move to point.h - dependancies updated here

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This commit is contained in:
Santosh Putta
2006-10-19 23:37:59 +00:00
parent 58189509d1
commit 3061511f68
4 changed files with 8 additions and 8 deletions
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4
Code/GraphMol/Conformer.cpp
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@@ -42,14 +42,14 @@ namespace RDKit {
void Conformer::setOwningMol(ROMol &mol) {setOwningMol(&mol);}
const POINT3D_VECT &Conformer::getPositions() const {
const RDGeom::POINT3D_VECT &Conformer::getPositions() const {
if (dp_mol) {
PRECONDITION(dp_mol->getNumAtoms() == d_positions.size(), "");
}
return d_positions;
}
POINT3D_VECT &Conformer::getPositions() {
RDGeom::POINT3D_VECT &Conformer::getPositions() {
if (dp_mol) {
PRECONDITION(dp_mol->getNumAtoms() == d_positions.size(), "");
}

4
Code/GraphMol/MolPickler.cpp
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@@ -324,8 +324,8 @@ namespace RDKit{
streamWrite(ss,tmpInt);
T tmpT = static_cast<T>(conf->getNumAtoms());
streamWrite(ss,tmpT);
const POINT3D_VECT &pts = conf->getPositions();
for (POINT3D_VECT_CI pti = pts.begin(); pti != pts.end(); pti++) {
const RDGeom::POINT3D_VECT &pts = conf->getPositions();
for (RDGeom::POINT3D_VECT_CI pti = pts.begin(); pti != pts.end(); pti++) {
tmpFloat = static_cast<float>(pti->x);
streamWrite(ss,tmpFloat);
tmpFloat = static_cast<float>(pti->y);

4
Code/GraphMol/MolTransforms/MolTransforms.cpp
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@@ -167,8 +167,8 @@ namespace MolTransforms {
}
void transformConformer(Conformer &conf, const RDGeom::Transform3D &trans) {
POINT3D_VECT &positions = conf.getPositions();
POINT3D_VECT_I pi;
RDGeom::POINT3D_VECT &positions = conf.getPositions();
RDGeom::POINT3D_VECT_I pi;
for (pi = positions.begin(); pi != positions.end(); ++pi) {
trans.TransformPoint(*pi);
}

4
Code/GraphMol/RWMol.cpp
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@@ -136,8 +136,8 @@ namespace RDKit{
// do the same with the coordinates in the conformations
CONF_SPTR_LIST_I ci;
for (ci = d_confs.begin(); ci != d_confs.end(); ci++) {
POINT3D_VECT &positions = (*ci)->getPositions();
POINT3D_VECT_I pi = positions.begin();
RDGeom::POINT3D_VECT &positions = (*ci)->getPositions();
RDGeom::POINT3D_VECT_I pi = positions.begin();
for (unsigned int i = 0; i < getNumAtoms()-1;i++) {
pi++;
if (i >= idx) {