diff --git a/modules/mol/base/pymod/export_coord_group.cc b/modules/mol/base/pymod/export_coord_group.cc index a445e74c079e0d2074f3b6bd3e4ce6b7a520ec0a..790337cb10ab46202599675d7dbae0b2ae3fd3b7 100644 --- a/modules/mol/base/pymod/export_coord_group.cc +++ b/modules/mol/base/pymod/export_coord_group.cc @@ -75,7 +75,7 @@ void export_CoordGroup() .add_property("start_time",&CoordGroupHandle::GetStartTime,&CoordGroupHandle::SetStartTime) .def("__getitem__",cg_getitem) .def("__setitem__",cg_setitem) - .def("Filter", &CoordGroupHandle::Filter, (arg("selected"),arg("first")=0,arg("last")=-1)) + .def("Filter", &CoordGroupHandle::Filter, (arg("selected"),arg("first")=0,arg("last")=-1,arg("stride")=1)) ; def("CreateCoordGroup",CreateCoordGroup); diff --git a/modules/mol/base/src/coord_group.cc b/modules/mol/base/src/coord_group.cc index d02eecc2751e49fc66ac64579a102ce632615265..1edd38b4542f2b03be5d561c59b7f66a948d5e42 100644 --- a/modules/mol/base/src/coord_group.cc +++ b/modules/mol/base/src/coord_group.cc @@ -220,7 +220,7 @@ void CoordGroupHandle::Capture(uint frame) } } -CoordGroupHandle CoordGroupHandle::Filter(const EntityView& selected, int first, int last) const +CoordGroupHandle CoordGroupHandle::Filter(const EntityView& selected, int first, int last, int stride) const { this->CheckValidity(); std::vector<unsigned long> indices; @@ -248,7 +248,8 @@ CoordGroupHandle CoordGroupHandle::Filter(const EntityView& selected, int first, CoordGroupHandle filtered_cg=CreateCoordGroup(new_ent.GetAtomList()); std::vector<geom::Vec3> vecs(indices.size()); if (last==-1) last=this->GetFrameCount(); - for (int i=first; i<last; ++i) { + if (stride<=0) stride=1; + for (int i=first; i<last; i=i+stride) { LOG_INFO("Filtering frame " << i << "/" << last); CoordFramePtr frame=this->GetFrame(i); for (std::vector<unsigned long>::const_iterator diff --git a/modules/mol/base/src/coord_group.hh b/modules/mol/base/src/coord_group.hh index 623f745efbb3bc37411d93279ee99baa5c5fb7f5..c9ea57e4efef9f7e07a5f9e868220f50587d050b 100644 --- a/modules/mol/base/src/coord_group.hh +++ b/modules/mol/base/src/coord_group.hh @@ -109,7 +109,7 @@ public: /// \brief return a filtered coord group, containing only the atoms in the /// view - CoordGroupHandle Filter(const EntityView& selected,int first=0,int last=-1) const; + CoordGroupHandle Filter(const EntityView& selected,int first=0,int last=-1,int stride=1) const; /// \brief apply in-place transform to each coordinate in each frame void ApplyTransform(const geom::Transform& tf);