Searched refs:bondAB (Results 1 – 5 of 5) sorted by relevance
| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/tests/core/ |
| H A D | moleculetest.cpp | 145 Bond bondAB = molecule.addBond(a, b); in TEST_F() local
146 EXPECT_TRUE(bondAB.isValid()); in TEST_F()
147 EXPECT_EQ(bondAB.molecule(), &molecule); in TEST_F()
149 EXPECT_EQ(bondAB.index(), static_cast<Index>(0)); in TEST_F()
150 EXPECT_EQ(bondAB.atom1().index(), a.index()); in TEST_F()
151 EXPECT_EQ(bondAB.atom2().index(), b.index()); in TEST_F()
152 EXPECT_EQ(bondAB.order(), static_cast<unsigned char>(1)); in TEST_F()
185 Bond bondAB = molecule.addBond(a, b); in TEST_F() local
194 molecule.removeBond(bondAB); in TEST_F()
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/tests/core/ |
| H A D | moleculetest.cpp | 145 Bond bondAB = molecule.addBond(a, b); in TEST_F() local
146 EXPECT_TRUE(bondAB.isValid()); in TEST_F()
147 EXPECT_EQ(bondAB.molecule(), &molecule); in TEST_F()
149 EXPECT_EQ(bondAB.index(), static_cast<Index>(0)); in TEST_F()
150 EXPECT_EQ(bondAB.atom1().index(), a.index()); in TEST_F()
151 EXPECT_EQ(bondAB.atom2().index(), b.index()); in TEST_F()
152 EXPECT_EQ(bondAB.order(), static_cast<unsigned char>(1)); in TEST_F()
185 Bond bondAB = molecule.addBond(a, b); in TEST_F() local
194 molecule.removeBond(bondAB); in TEST_F()
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/tests/qtgui/ |
| H A D | moleculetest.cpp | 144 Bond bondAB = molecule.addBond(a, b); in TEST_F() local
145 EXPECT_TRUE(bondAB.isValid()); in TEST_F()
146 EXPECT_EQ(bondAB.molecule(), &molecule); in TEST_F()
148 EXPECT_EQ(bondAB.index(), static_cast<Index>(0)); in TEST_F()
149 EXPECT_EQ(bondAB.atom1().index(), a.index()); in TEST_F()
150 EXPECT_EQ(bondAB.atom2().index(), b.index()); in TEST_F()
151 EXPECT_EQ(bondAB.order(), static_cast<unsigned char>(1)); in TEST_F()
184 Bond bondAB = molecule.addBond(a, b); in TEST_F() local
193 molecule.removeBond(bondAB); in TEST_F()
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| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/tests/qtgui/ |
| H A D | moleculetest.cpp | 144 Bond bondAB = molecule.addBond(a, b); in TEST_F() local
145 EXPECT_TRUE(bondAB.isValid()); in TEST_F()
146 EXPECT_EQ(bondAB.molecule(), &molecule); in TEST_F()
148 EXPECT_EQ(bondAB.index(), static_cast<Index>(0)); in TEST_F()
149 EXPECT_EQ(bondAB.atom1().index(), a.index()); in TEST_F()
150 EXPECT_EQ(bondAB.atom2().index(), b.index()); in TEST_F()
151 EXPECT_EQ(bondAB.order(), static_cast<unsigned char>(1)); in TEST_F()
184 Bond bondAB = molecule.addBond(a, b); in TEST_F() local
193 molecule.removeBond(bondAB); in TEST_F()
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| /dports/science/jmol/jmol-14.32.7/src/org/jmol/modelset/ |
| H A D | ModelSet.java | 2466 Bond bondAB = null; in makeConnections2() local
2475 bondAB = bo[i]; in makeConnections2()
2476 atomA = bondAB.atom1; in makeConnections2()
2477 atomB = bondAB.atom2; in makeConnections2()
2497 bondAB = atomA.getBond(atomB); in makeConnections2()
2506 if (bondAB == null) { in makeConnections2()
2512 bondAB.setOrder(order); in makeConnections2()
2515 bondAB.setAtropisomerOptions(bsA, bsB); in makeConnections2()
2517 bsAromatic.clear(bondAB.index); in makeConnections2()
2519 if (anyOrNoId || order == bondAB.order || newOrder == bondAB.order in makeConnections2()
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