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Export property types #65

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Export property types #65

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fc34498
Added property types to python export
jlheflin Sep 6, 2024
153861f
Removed Traits based property types
jlheflin Sep 6, 2024
5de1185
Used ghostfragment::pt instead of just ghostfragment
jlheflin Sep 6, 2024
2f077b1
tested other property types
jlheflin Sep 6, 2024
ba3e78b
added namespace pt and removed NuclearGraph
jlheflin Sep 6, 2024
1135697
rename commit name and fix merge issue
jlheflin Sep 6, 2024
0ec862c
use ChemicalSystem instead of ChemicalSystemView
ryanmrichard Sep 9, 2024
3198ee6
edited include statement in connectivity_table.hpp to be updated to n…
jlheflin Oct 31, 2024
af230ac
trying to export NuclearGraph property type
jlheflin Nov 21, 2024
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33 changes: 31 additions & 2 deletions src/python/export_ghostfragment.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -14,11 +14,40 @@
* limitations under the License.
*/

#include "ghostfragment/property_types/fragmenting/capped_fragments.hpp"
#include "ghostfragment/property_types/fragmenting/fragment_weights.hpp"
#include "ghostfragment/property_types/fragmenting/fragmented_chemical_system.hpp"
#include "ghostfragment/property_types/fragmenting/fragmented_nuclei.hpp"
#include "ghostfragment/property_types/fragmenting/intersections.hpp"
#include "ghostfragment/property_types/fragmenting/nuclear_graph_to_fragments.hpp"
#include "ghostfragment/property_types/topology/broken_bonds.hpp"
#include "ghostfragment/property_types/topology/connectivity_table.hpp"
#include "ghostfragment/property_types/topology/nuclear_graph.hpp"
#include "property_type/macros.hpp"
#include <ghostfragment/ghostfragment.hpp>
#include <pluginplay/pluginplay.hpp>

namespace ghostfragment {
namespace ghostfragment::pt {
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This changes the namespace the ghostfragment python module is extracted into. We want it to be extracted into the ghostfragment namespace, not ghostfragment::pt.

Suggested change
namespace ghostfragment::pt {
namespace ghostfragment {


EXPORT_PLUGIN(ghostfragment, m) {}
EXPORT_PLUGIN(ghostfragment, m) {
EXPORT_PROPERTY_TYPE(CappedFragments, m);
// EXPORT_PROPERTY_TYPE(pt::CappedFragmentsTraits, m);
EXPORT_PROPERTY_TYPE(NuclearGraphToFragments, m);
// EXPORT_PROPERTY_TYPE(pt::NuclearGraphToFragmentsTraits, m);
EXPORT_PROPERTY_TYPE(NuclearGraph, m);
// EXPORT_PROPERTY_TYPE(pt::NuclearGraphTraits, m);
EXPORT_PROPERTY_TYPE(FragmentedNuclei, m);
// EXPORT_PROPERTY_TYPE(pt::FragmentedNucleiTraits, m);
EXPORT_PROPERTY_TYPE(FragmentedChemicalSystem, m);
// EXPORT_PROPERTY_TYPE(pt::FragmentedChemicalSystemTraits, m);
EXPORT_PROPERTY_TYPE(FragmentWeights, m);
// EXPORT_PROPERTY_TYPE(pt::FragmentWeightsTraits, m);
EXPORT_PROPERTY_TYPE(ConnectivityTable, m);
// EXPORT_PROPERTY_TYPE(pt::ConnectivityTableTraits, m);
EXPORT_PROPERTY_TYPE(BrokenBonds, m);
// EXPORT_PROPERTY_TYPE(pt::BrokenBondsTraits, m);
EXPORT_PROPERTY_TYPE(Intersections, m);
// EXPORT_PROPERTY_TYPE(pt::IntersectionTraits, m);
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@ryanmrichard ryanmrichard Sep 6, 2024 •
edited
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Remove the comments and add back the pt namespace.

Suggested change
EXPORT_PROPERTY_TYPE(CappedFragments, m);
// EXPORT_PROPERTY_TYPE(pt::CappedFragmentsTraits, m);
EXPORT_PROPERTY_TYPE(NuclearGraphToFragments, m);
// EXPORT_PROPERTY_TYPE(pt::NuclearGraphToFragmentsTraits, m);
EXPORT_PROPERTY_TYPE(NuclearGraph, m);
// EXPORT_PROPERTY_TYPE(pt::NuclearGraphTraits, m);
EXPORT_PROPERTY_TYPE(FragmentedNuclei, m);
// EXPORT_PROPERTY_TYPE(pt::FragmentedNucleiTraits, m);
EXPORT_PROPERTY_TYPE(FragmentedChemicalSystem, m);
// EXPORT_PROPERTY_TYPE(pt::FragmentedChemicalSystemTraits, m);
EXPORT_PROPERTY_TYPE(FragmentWeights, m);
// EXPORT_PROPERTY_TYPE(pt::FragmentWeightsTraits, m);
EXPORT_PROPERTY_TYPE(ConnectivityTable, m);
// EXPORT_PROPERTY_TYPE(pt::ConnectivityTableTraits, m);
EXPORT_PROPERTY_TYPE(BrokenBonds, m);
// EXPORT_PROPERTY_TYPE(pt::BrokenBondsTraits, m);
EXPORT_PROPERTY_TYPE(Intersections, m);
// EXPORT_PROPERTY_TYPE(pt::IntersectionTraits, m);
using namespace pt;
EXPORT_PROPERTY_TYPE(CappedFragments, m);
EXPORT_PROPERTY_TYPE(NuclearGraphToFragments, m);
EXPORT_PROPERTY_TYPE(NuclearGraph, m);
EXPORT_PROPERTY_TYPE(FragmentedNuclei, m);
EXPORT_PROPERTY_TYPE(FragmentedChemicalSystem, m);
EXPORT_PROPERTY_TYPE(FragmentWeights, m);
EXPORT_PROPERTY_TYPE(ConnectivityTable, m);
EXPORT_PROPERTY_TYPE(BrokenBonds, m);
EXPORT_PROPERTY_TYPE(Intersections, m);

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I did this previously and ended up with a syntax error within python due to the double colon.

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You're right. That's my bad. Try my edit.

}

} // namespace ghostfragment
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