Searched refs:isNiggliReduced (Results 1 – 8 of 8) sorted by relevance
92 EXPECT_FALSE(CrystalTools::isNiggliReduced(mol)); in TEST()94 EXPECT_TRUE(CrystalTools::isNiggliReduced(mol)); in TEST()108 EXPECT_FALSE(CrystalTools::isNiggliReduced(mol)); in TEST()110 EXPECT_TRUE(CrystalTools::isNiggliReduced(mol)); in TEST()
103 static bool isNiggliReduced(const Molecule& mol);
462 bool CrystalTools::isNiggliReduced(const Molecule& molecule) in isNiggliReduced() function in Avogadro::Core::CrystalTools
205 if (CrystalTools::isNiggliReduced(*m_molecule)) { in niggliReduce()