Lines Matching refs:CriteriaSet
90 CriteriaSet(atom_criteria(1, 6), tag="HC"),
91 CriteriaSet(atom_criteria(6, 6), tag="CC"),
92 CriteriaSet(atom_criteria(6, 7), tag="CN"),
93 CriteriaSet(atom_criteria(6, HasNumNeighbors(4)), tag="C-sp3"),
94 CriteriaSet(atom_criteria(6, CritOr(HasAtomNumber(6), HasAtomNumber(7))), tag="C-[CN]"),
95 CriteriaSet(edge_criteria={0: BondLongerThan(1.3*angstrom)}, tag="long"),
96 … CriteriaSet(atom_criteria(6, HasNeighbors(*atom_criteria(1,1,6,7).values())), tag="C-C(-NHH)"),
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"),
193 CriteriaSet(atom_criteria(1, 6, 6, 7), tag="HCCN"),
194 CriteriaSet(atom_criteria(1, 6, 7, 6), tag="HCNC"),
238 CriteriaSet(atom_criteria(6, 1, 6, 6, 1), tag="C-(HCCH)")
270 pattern = DihedralAnglePattern([CriteriaSet(tag="all")])
296 pattern = NRingPattern(10, [CriteriaSet(tag="all")])
325 pattern = NRingPattern(size, [CriteriaSet(tag=tag)], strong=True)