Searched refs:CriteriaSet (Results 1 – 3 of 3) sorted by relevance
| /dports/science/py-molmod/molmod-1.4.8/molmod/test/ |
| H A D | test_molecular_graphs.py | 90 CriteriaSet(atom_criteria(1, 6), tag="HC"),
91 CriteriaSet(atom_criteria(6, 6), tag="CC"),
92 CriteriaSet(atom_criteria(6, 7), tag="CN"),
139 CriteriaSet(atom_criteria(1, 6, 1), tag="HCH"),
140 CriteriaSet(atom_criteria(1, 6, 6), tag="HCC"),
141 CriteriaSet(atom_criteria(6, 6, 6), tag="CCC"),
142 CriteriaSet(atom_criteria(6, 6, 7), tag="CCN"),
143 CriteriaSet(atom_criteria(6, 7, 6), tag="CNC"),
144 CriteriaSet(atom_criteria(1, 6, 7), tag="HCN"),
192 CriteriaSet(atom_criteria(1, 6, 6, 1), tag="HCCH"),
[all …]
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| /dports/science/py-molmod/molmod-1.4.8/molmod/io/ |
| H A D | psf.py | 44 from molmod.graphs import CriteriaSet, GraphSearch
329 match_generator = GraphSearch(BondPattern([CriteriaSet()]))
343 match_generator = GraphSearch(BendingAnglePattern([CriteriaSet()]))
358 match_generator = GraphSearch(DihedralAnglePattern([CriteriaSet()]))
374 match_generator = GraphSearch(OutOfPlanePattern([CriteriaSet(
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| /dports/science/py-molmod/molmod-1.4.8/molmod/ |
| H A D | graphs.py | 1016 class CriteriaSet(object): class
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