| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/ |
| H A D | vesta_cutoffs.yaml | 1 ? !!python/tuple [Ac, Br]
3 ? !!python/tuple [Ac, Cl]
5 ? !!python/tuple [Ac, F]
7 ? !!python/tuple [Ac, O]
9 ? !!python/tuple [Ag, As]
11 ? !!python/tuple [Ag, Br]
13 ? !!python/tuple [Ag, Cl]
15 ? !!python/tuple [Ag, F]
17 ? !!python/tuple [Ag, H]
19 ? !!python/tuple [Ag, I]
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| /dports/sysutils/syslog-ng/syslog-ng-3.35.1/modules/python/ |
| H A D | Makefile.am | 26 modules/python/python-module.h \
27 modules/python/python-config.h \
28 modules/python/python-config.c \
33 modules/python/python-main.h \
34 modules/python/python-main.c \
39 modules/python/python-dest.c \
40 modules/python/python-dest.h \
41 modules/python/python-tf.c \
42 modules/python/python-tf.h \
80 modules/python mod-python: modules/python/libmod-python.la
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/SubstructLibrary/Wrap/ |
| H A D | SubstructLibraryWrap.cpp | 39 namespace python = boost::python;
196 python::object retval = python::object( in SubstructLibrary_Serialize()
208 return python::make_tuple(python::object(python::handle<>( in getinitargs()
303 (python::args("idx"), python::args("query")), in wrap()
354 (python::arg("query"), python::arg("startIdx"), in wrap()
385 (python::arg("query"), python::arg("startIdx"), in wrap()
447 (python::arg("query"), python::arg("startIdx"), in wrap()
478 (python::arg("query"), python::arg("startIdx"), in wrap()
508 (python::arg("query"), python::arg("startIdx"), in wrap()
574 (python::arg("sslib"), python::arg("numThreads")=1)); in wrap()
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Fingerprints/Wrap/ |
| H A D | FingerprintGeneratorWrapper.cpp | 22 namespace python = boost::python;
351 (python::arg("mol"), python::arg("fromAtoms") = python::list(), in BOOST_PYTHON_MODULE()
352 python::arg("ignoreAtoms") = python::list(), in BOOST_PYTHON_MODULE()
375 (python::arg("mol"), python::arg("fromAtoms") = python::list(), in BOOST_PYTHON_MODULE()
376 python::arg("ignoreAtoms") = python::list(), in BOOST_PYTHON_MODULE()
399 (python::arg("mol"), python::arg("fromAtoms") = python::list(), in BOOST_PYTHON_MODULE()
423 (python::arg("mol"), python::arg("fromAtoms") = python::list(), in BOOST_PYTHON_MODULE()
455 (python::arg("mol"), python::arg("fromAtoms") = python::list(), in BOOST_PYTHON_MODULE()
479 (python::arg("mol"), python::arg("fromAtoms") = python::list(), in BOOST_PYTHON_MODULE()
503 (python::arg("mol"), python::arg("fromAtoms") = python::list(), in BOOST_PYTHON_MODULE()
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Wrap/ |
| H A D | rdmolfiles.cpp | 37 namespace python = boost::python;
440 python::object retval = python::object( in addMolToPNGFileHelper()
453 python::object retval = python::object( in addMolToPNGStringHelper()
458 python::object addMetadataToPNGFileHelper(python::dict pymetadata, python::object fname) { in addMetadataToPNGFileHelper()
472 python::object retval = python::object( in addMetadataToPNGFileHelper()
491 python::object retval = python::object( in addMetadataToPNGStringHelper()
545 python::object val = python::object( in translateMetadata()
969 (python::arg("mol"), python::arg("filename"), python::arg("confId") = -1), in BOOST_PYTHON_MODULE()
1642 (python::arg("png"), python::arg("params") = python::object()), in BOOST_PYTHON_MODULE()
1659 (python::arg("filename"), python::arg("params") = python::object()), in BOOST_PYTHON_MODULE()
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| H A D | Mol.cpp | 32 namespace python = boost::python;
46 python::object retval = python::object( in MolToBinary()
57 python::object retval = python::object( in MolToBinaryWithProps()
552 (python::arg("self"), python::arg("query"), python::arg("params")), in wrap()
563 (python::arg("self"), python::arg("query"), python::arg("params")), in wrap()
583 (python::arg("self"), python::arg("query"), python::arg("params")), in wrap()
617 (python::arg("self"), python::arg("key"), python::arg("val"), in wrap()
627 (python::arg("self"), python::arg("key"), python::arg("val"), in wrap()
637 (python::arg("self"), python::arg("key"), python::arg("val"), in wrap()
648 (python::arg("self"), python::arg("key"), python::arg("val"), in wrap()
[all …]
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| H A D | MolOps.cpp | 37 namespace python = boost::python;
522 python::object frags = python::object(), in GetMolFragsWithMapping()
714 python::object fromAtoms, python::object atomBits, python::object bitInfo) { in wrapUnfoldedRDKFingerprintMol()
804 python::dict typecheck = python::extract<python::dict>(atomMap); in pathToSubmolHelper()
947 (python::arg("mol"), python::arg("conf") = python::object()), in wrap()
1318 (python::arg("mol"), python::arg("core"), python::arg("matches")), in wrap()
1341 (python::arg("mol"), python::arg("core"), python::arg("matches")), in wrap()
1592 (python::arg("mol"), python::arg("min"), python::arg("max"), in wrap()
1743 (python::arg("mol"), python::arg("whiteList") = python::object(), in wrap()
1760 (python::arg("mol"), python::arg("whiteList") = python::object(), in wrap()
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| H A D | Trajectory.cpp | 17 namespace python = boost::python;
65 (python::arg("self"), python::arg("s")), in wrap()
69 (python::arg("self"), python::arg("snapshotNum")), in wrap()
74 (python::arg("self"), python::arg("snapshotNum"), python::arg("s")), in wrap()
80 (python::arg("self"), python::arg("snapshotNum")), in wrap()
87 (python::arg("self"), python::arg("mol"), in wrap()
88 python::arg("from") = -1, python::arg("to") = -1), in wrap()
95 (python::arg("dimension"), python::arg("numPoints"), in wrap()
96 python::arg("snapshotList") = python::list()), in wrap()
126 (python::arg("fName"), python::arg("traj")), in wrap()
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| H A D | MolBundle.cpp | 21 namespace python = boost::python;
42 (python::arg("self"), python::arg("query"), in wrap()
58 (python::arg("self"), python::arg("query"), in wrap()
80 (python::arg("self"), python::arg("query"), in wrap()
116 (python::arg("self"), python::arg("query"), in wrap()
194 (python::arg("self"), python::arg("query"), python::arg("params")), in wrap()
207 (python::arg("self"), python::arg("query"), python::arg("params")), in wrap()
226 (python::arg("self"), python::arg("query"), python::arg("params")), in wrap()
243 (python::arg("self"), python::arg("query"), python::arg("params")), in wrap()
254 (python::arg("self"), python::arg("query"), python::arg("params")), in wrap()
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| H A D | Queries.cpp | 18 namespace python = boost::python;
166 python::return_value_policy<python::manage_new_object>()); in wrap()
221 (python::arg("propname"), python::arg("val"), in wrap()
229 (python::arg("propname"), python::arg("val"), in wrap()
238 (python::arg("propname"), python::arg("val"), in wrap()
247 (python::arg("propname"), python::arg("val"), in wrap()
256 (python::arg("propname"), python::arg("val"), in wrap()
279 (python::arg("propname"), python::arg("val"), in wrap()
287 (python::arg("propname"), python::arg("val"), in wrap()
296 (python::arg("propname"), python::arg("val"), in wrap()
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Descriptors/Wrap/ |
| H A D | rdMolDescriptors.cpp | 36 namespace python = boost::python;
62 python::list atomTypes = python::list(), in computeCrippenContribs()
332 python::list typecheck = python::extract<python::list>(atomContribs); in kappaHelper()
343 python::list acl = python::extract<python::list>(atomContribs); in kappaHelper()
391 python::dict typecheck = python::extract<python::dict>(bitInfo); in MorganFingerprintHelper()
523 python::dict typecheck = python::extract<python::dict>(bitInfo); in GetMorganFingerprintBV()
614 python::list tmpPts = python::extract<python::list>(points); in GetUSRDistributions()
866 python::list pyres = python::extract<python::list>(pyatoms); in numSpiroAtoms()
879 python::list pyres = python::extract<python::list>(pyatoms); in numBridgeheadAtoms()
1341 (python::arg("mol"), python::arg("bins") = python::list(), in BOOST_PYTHON_MODULE()
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/DataStructs/Wrap/ |
| H A D | wrap_BitOps.cpp | 15 namespace python = boost::python;
28 python::object retval = python::object( in BVToBinaryText()
51 python::list NeighborWrapper(python::object queries, python::object bvs, in NeighborWrapper()
209 (python::list(*)(python::object, python::object)) \
213 (python::list(*)(python::object, python::object)) \
250 (python::args("bv1"), python::args("bv2"), python::args("a"), in wrap()
255 (python::args("bv1"), python::args("bv2"), python::args("a"), in wrap()
261 (python::args("bv1"), python::args("pkl"), python::args("a"), in wrap()
266 (python::args("bv1"), python::args("pkl"), python::args("a"), in wrap()
273 (python::args("bv1"), python::args("bvList"), python::args("a"), in wrap()
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| H A D | SparseIntVect.cpp | 27 python::object retval = python::object( in SIVToBinaryText()
135 .def(python::self & python::self) in wrapOne()
136 .def(python::self | python::self) in wrapOne()
137 .def(python::self - python::self) in wrapOne()
147 .def(python::self + python::self) in wrapOne()
148 .def(python::self += python::self) in wrapOne()
149 .def(python::self == python::self) in wrapOne()
150 .def(python::self != python::self) in wrapOne()
174 (python::args("siv1"), python::args("siv2"), in wrapOne()
194 (python::args("siv1"), python::args("siv2"), python::args("a"), in wrapOne()
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ChemReactions/Wrap/ |
| H A D | rdChemReactions.cpp | 53 namespace python = boost::python;
73 python::object retval = python::object( in ReactionToBinaryWithProps()
198 python::list molList = python::extract<python::list>(targetList); in RemoveUnmappedReactantTemplates()
218 python::list molList = python::extract<python::list>(targetList); in RemoveUnmappedProductTemplates()
233 python::list molList = python::extract<python::list>(targetList); in RemoveAgentTemplates()
625 (python::arg("self"), python::arg("key"), python::arg("val"), in BOOST_PYTHON_MODULE()
635 (python::arg("self"), python::arg("key"), python::arg("val"), in BOOST_PYTHON_MODULE()
645 (python::arg("self"), python::arg("key"), python::arg("val"), in BOOST_PYTHON_MODULE()
657 (python::arg("self"), python::arg("key"), python::arg("val"), in BOOST_PYTHON_MODULE()
667 (python::arg("self"), python::arg("key"), python::arg("val"), in BOOST_PYTHON_MODULE()
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| H A D | Enumerate.cpp | 40 namespace python = boost::python;
74 inline python::object pass_through(python::object const& o) { return o; } in pass_through()
101 python::object retval = python::object( in EnumerateLibraryBase_Serialize()
301 .def(python::init< in wrap()
303 python::list, in wrap()
306 .def(python::init< in wrap()
349 python::return_value_policy<python::manage_new_object>()) in wrap()
379 python::return_value_policy<python::manage_new_object>()) in wrap()
391 python::return_value_policy<python::manage_new_object>()) in wrap()
404 python::return_value_policy<python::manage_new_object>()) in wrap()
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| /dports/sysutils/file/file-5.39/magic/Magdir/ |
| H A D | python | 4 # python: file(1) magic for python
13 !:mime text/x-bytecode.python
15 !:mime text/x-bytecode.python
17 !:mime text/x-bytecode.python
19 !:mime text/x-bytecode.python
21 !:mime text/x-bytecode.python
23 !:mime text/x-bytecode.python
25 !:mime text/x-bytecode.python
27 !:mime text/x-bytecode.python
29 !:mime text/x-bytecode.python
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| /dports/devel/py-magic/file-5.40/magic/Magdir/ |
| H A D | python | 4 # python: file(1) magic for python
13 !:mime text/x-bytecode.python
15 !:mime text/x-bytecode.python
17 !:mime text/x-bytecode.python
19 !:mime text/x-bytecode.python
21 !:mime text/x-bytecode.python
23 !:mime text/x-bytecode.python
25 !:mime text/x-bytecode.python
27 !:mime text/x-bytecode.python
29 !:mime text/x-bytecode.python
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/MolTransforms/Wrap/ |
| H A D | rdMolTransforms.cpp | 22 namespace python = boost::python;
169 python::arg("weights") = python::object()), in BOOST_PYTHON_MODULE()
187 python::arg("weights") = python::object()), in BOOST_PYTHON_MODULE()
216 (python::arg("conf"), python::arg("iAtomId"), python::arg("jAtomId")), in BOOST_PYTHON_MODULE()
233 (python::arg("conf"), python::arg("iAtomId"), python::arg("jAtomId"), in BOOST_PYTHON_MODULE()
234 python::arg("kAtomId"), python::arg("value")), in BOOST_PYTHON_MODULE()
239 (python::arg("conf"), python::arg("iAtomId"), python::arg("jAtomId"), in BOOST_PYTHON_MODULE()
245 (python::arg("conf"), python::arg("iAtomId"), python::arg("jAtomId"), in BOOST_PYTHON_MODULE()
250 (python::arg("conf"), python::arg("iAtomId"), python::arg("jAtomId"), in BOOST_PYTHON_MODULE()
255 (python::arg("conf"), python::arg("iAtomId"), python::arg("jAtomId"), in BOOST_PYTHON_MODULE()
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| /dports/lang/spidermonkey78/firefox-78.9.0/obj-x86_64-pc-linux-gnu/_virtualenvs/init/lib/python2.7/site-packages/ |
| H A D | mozilla.pth | 1 ../../../../../../python/mach
2 ../../../../../../python/mozboot
3 ../../../../../../python/mozbuild
4 ../../../../../../python/mozlint
5 ../../../../../../python/mozperftest
6 ../../../../../../python/mozrelease
7 ../../../../../../python/mozterm
8 ../../../../../../python/mozversioncontrol
9 ../../../../../../python/l10n
20 ../../../../../../third_party/python/cram
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/MolDraw2D/Wrap/ |
| H A D | rdMolDraw2D.cpp | 29 namespace python = boost::python;
37 python::dict tDict = python::extract<python::dict>(pyo); in tagAtomHelper()
49 python::dict tDict = python::extract<python::dict>(pyo); in pyDictToColourMap()
52 python::tuple tpl = python::extract<python::tuple>(tDict.values()[i]); in pyDictToColourMap()
69 python::dict tDict = python::extract<python::dict>(pyo); in pyDictToDoubleMap()
85 python::dict tDict = python::extract<python::dict>(pyo); in pyDictToIntMap()
127 python::list tList = python::extract<python::list>(pyo); in pyListToColourVec()
130 python::tuple tpl = python::extract<python::tuple>(tList[i]); in pyListToColourVec()
138 python::dict tDict = python::extract<python::dict>(pyo); in pyDictToMapColourVec()
141 python::list pl = python::extract<python::list>(tDict.values()[i]); in pyDictToMapColourVec()
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| /dports/devel/py-pythonbrew/pythonbrew-1.3/pythonbrew/etc/ |
| H A D | config.cfg | 18 url = http://www.python.org/ftp/python/src/py152.tgz
26 url = http://www.python.org/ftp/python/2.0/Python-2.0.tgz
29 url = http://www.python.org/ftp/python/2.0.1/Python-2.0.1.tgz
33 url = http://www.python.org/ftp/python/2.1/Python-2.1.tgz
36 url = http://www.python.org/ftp/python/2.1.1/Python-2.1.1.tgz
39 url = http://www.python.org/ftp/python/2.1.2/Python-2.1.2.tgz
42 url = http://www.python.org/ftp/python/2.1.3/Python-2.1.3.tgz
46 url = http://www.python.org/ftp/python/2.2/Python-2.2.tgz
59 url = http://www.python.org/ftp/python/2.3/Python-2.3.tgz
81 url = http://www.python.org/ftp/python/2.4/Python-2.4.tgz
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/MolAlign/Wrap/ |
| H A D | rdMolAlign.cpp | 28 namespace python = boost::python;
587 python::arg("refCid") = -1, python::arg("atomMap") = python::list(), in BOOST_PYTHON_MODULE()
588 python::arg("weights") = python::list(), python::arg("reflect") = false, in BOOST_PYTHON_MODULE()
621 python::arg("refCid") = -1, python::arg("atomMap") = python::list(), in BOOST_PYTHON_MODULE()
622 python::arg("weights") = python::list(), python::arg("reflect") = false, in BOOST_PYTHON_MODULE()
655 (python::arg("prbMol"), python::arg("refMol"), python::arg("prbId") = -1, in BOOST_PYTHON_MODULE()
656 python::arg("refId") = -1, python::arg("map") = python::object(), in BOOST_PYTHON_MODULE()
688 (python::arg("prbMol"), python::arg("refMol"), python::arg("prbId") = -1, in BOOST_PYTHON_MODULE()
689 python::arg("refId") = -1, python::arg("map") = python::object(), in BOOST_PYTHON_MODULE()
711 (python::arg("mol"), python::arg("atomIds") = python::list(), in BOOST_PYTHON_MODULE()
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/ForceField/Wrap/ |
| H A D | ForceField.cpp | 28 namespace python = boost::python;
335 (python::arg("self"), python::arg("idx1"), python::arg("idx2"), in BOOST_PYTHON_MODULE()
344 (python::arg("self"), python::arg("idx1"), python::arg("idx2"), in BOOST_PYTHON_MODULE()
352 (python::arg("self"), python::arg("idx1"), python::arg("idx2"), in BOOST_PYTHON_MODULE()
361 (python::arg("self"), python::arg("idx1"), python::arg("idx2"), in BOOST_PYTHON_MODULE()
408 (python::arg("self"), python::arg("x"), python::arg("y"), in BOOST_PYTHON_MODULE()
427 (python::arg("self"), python::arg("mol"), python::arg("idx1"), in BOOST_PYTHON_MODULE()
435 (python::arg("self"), python::arg("mol"), python::arg("idx1"), in BOOST_PYTHON_MODULE()
443 (python::arg("self"), python::arg("mol"), python::arg("idx1"), in BOOST_PYTHON_MODULE()
450 (python::arg("self"), python::arg("mol"), python::arg("idx1"), in BOOST_PYTHON_MODULE()
[all …]
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/MolStandardize/Wrap/ |
| H A D | Tautomer.cpp | 19 namespace python = boost::python;
27 python::list atList; in PyTautomerEnumeratorResult()
123 python::list keys; in smilesTautomerMapKeysHelper()
166 python::object callbackObject(python::handle<>(python::borrowed(callback))); in setCallbackHelper()
362 (python::arg("self"), python::arg("mol")), in wrap()
377 (python::arg("self"), python::arg("mol")), in wrap()
392 (python::arg("self"), python::arg("mol"), python::arg("scoreFunc")), in wrap()
397 (python::arg("self"), python::arg("iterable")), in wrap()
401 (python::arg("self"), python::arg("iterable"), in wrap()
414 (python::arg("self"), python::arg("maxTautomers")), in wrap()
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/FilterCatalog/Wrap/ |
| H A D | FilterCatalog.cpp | 41 namespace python = boost::python;
52 return python::make_tuple(python::object(python::handle<>( in getinitargs()
110 python::object retval = python::object( in FilterCatalogEntry_Serialize()
117 python::object retval = python::object( in FilterCatalog_Serialize()
296 python::dict dict; in GetFlattenedFunctionalGroupHierarchyHelper()
370 python::return_value_policy<python::return_by_value>()) in wrap()
444 python::def( in wrap()
448 python::def( in wrap()
463 python::class_< in wrap()
490 python::class_<FilterCatalog>("FilterCatalog", python::init<>()) in wrap()
[all …]
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