| /dports/science/cdk/cdk-cdk-2.3/base/test-core/src/test/java/org/openscience/cdk/stereo/ |
| H A D | OctahedralTest.java | 52 assertThat(se, instanceOf(Octahedral.class)); in normalizeOh()
54 Octahedral oh = (Octahedral) se; in normalizeOh()
55 Octahedral ohNorm = oh.normalize(); in normalizeOh()
76 new Octahedral(a0, new IAtom[]{a1,a2,a3,a4,a5,a6,a7}, 1); in tooManyCarriers()
88 new Octahedral(a0, new IAtom[]{a1,a2,a3,a4,a5,a6}, 32); in badConfigurationOrder()
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| /dports/math/graphthing/graphthing-1.3.2/src/ |
| H A D | factory.h | 41 static Graph *Octahedral ();
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| H A D | factory.cc | 432 Graph *Factory::Octahedral () in Octahedral() function in Factory
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| H A D | gui_cb.cc | 779 graph = Factory::Octahedral (); in cb_Prefab_Platonic_Octahedral()
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| H A D | phrases.lang | 671 "&Octahedral" = {
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| /dports/science/cdk/cdk-cdk-2.3/base/interfaces/src/main/java/org/openscience/cdk/interfaces/ |
| H A D | IStereoElement.java | 159 public static final int Octahedral = OC; field
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| /dports/science/cdk/cdk-cdk-2.3/storage/smiles/src/main/java/org/openscience/cdk/smiles/ |
| H A D | BeamToCDK.java | 35 import org.openscience.cdk.stereo.Octahedral;
225 case Octahedral: { in toAtomContainer()
510 return new Octahedral(atoms[u], in newOctahedral()
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| /dports/science/phonopy/phonopy-2.11.0/doc/ |
| H A D | citation.rst | 52 * "Inversion Symmetry Breaking by Oxygen Octahedral Rotations in the
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| /dports/science/openbabel/openbabel-3.1.1/include/openbabel/stereo/ |
| H A D | stereo.h | 87 Octahedral = (1<<6) //!< Octahedral stereochemistry enumerator
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| /dports/science/cdk/cdk-cdk-2.3/tool/sdg/src/main/java/org/openscience/cdk/layout/ |
| H A D | NonplanarBonds.java | 41 import org.openscience.cdk.stereo.Octahedral;
198 } else if (se instanceof Octahedral) { in NonplanarBonds()
199 modifyAndLabel((Octahedral) se); in NonplanarBonds()
340 private void modifyAndLabel(Octahedral oc) { in modifyAndLabel()
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| /dports/science/py-pymol/pymol-open-source-2.4.0/layer2/ |
| H A D | CoordSet.h | 40 Octahedral = 2, enumerator
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| H A D | ObjectMolecule.cpp | 1121 if(cs->PeriodicBoxType == CoordSet::Octahedral) in ObjectMoleculeLoadTRJFile()
1709 cset->PeriodicBoxType = CoordSet::Octahedral; in ObjectMoleculeTOPStr2CoordSet()
2180 cset->PeriodicBoxType = CoordSet::Octahedral; in ObjectMoleculeTOPStr2CoordSet()
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/core/ |
| H A D | atom.h | 40 Octahedral = 6 enumerator
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| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/core/ |
| H A D | atom.h | 40 Octahedral = 6 enumerator
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| /dports/science/cdk/cdk-cdk-2.3/base/core/src/main/java/org/openscience/cdk/stereo/ |
| H A D | Octahedral.java | 60 public final class Octahedral extends AbstractStereo<IAtom,IAtom> { class
281 public Octahedral(IAtom focus, IAtom[] carriers, int order) { in Octahedral() method in Octahedral
297 public Octahedral normalize() { in normalize()
307 return new Octahedral(getFocus(), carriers, 1); in normalize()
314 protected Octahedral create(IAtom focus, List<IAtom> carriers, int cfg) { in create()
315 return new Octahedral(focus, in create()
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| /dports/graphics/mandelbulber/mandelbulber2-2.26/mandelbulber2/formula/opencl/ |
| H A D | mandalay_kifs.cl | 56 // Kifs Octahedral fold:
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| /dports/games/burrtools/burrtools-0.6.3/examples/ |
| H A D | README | 104 Octahedral-Spacegrid.
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| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/qtgui/ |
| H A D | hydrogentools.cpp | 392 case Core::Octahedral: // octahedral in generateNewBondVector()
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/qtgui/ |
| H A D | hydrogentools.cpp | 392 case Core::Octahedral: // octahedral in generateNewBondVector()
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| /dports/math/R-cran-igraph/igraph/man/ |
| H A D | make_graph.Rd | 146 \item{Octahedral, Octahedron}{Platonic solid
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| /dports/science/lammps/lammps-stable_29Sep2021/tools/msi2lmp/frc_files/ |
| H A D | cvff_aug.frc | 11 ! 1.0 1 Ti tioc 1.6 6 Titanium (Octahedral) in zeolites
30 ! 1.0 2 Al ay 3.0 6 Octahedral Aluminum atom in Clays
33 ! 1.0 2 Mg mg2c 2.0 0 Octahedral Magnesium ion in Clays
34 ! 1.0 2 Fe fe2c 2.0 0 Octahedral Fe(II) ion in clays
41 ! 1.0 2 Ti ti4c 4.0 0 Titanium (Octahedral) to be used with oy
338 3.2 24 ay 26.981539 Al 1 Octahedral Aluminum atom in Clays
344 3.1 23 tioc 47.880000 Ti 1 Titanium (Octahedral) in zeolites
345 3.1 35 ti4c 47.880000 Ti 1 Titanium (Octahedral) to be used with oy
359 3.2 24 mg2c 24.305000 Mg 1 Octahedral Magnesium ion in Clays
369 3.2 24 fe2c 55.847000 Fe 1 Octahedral Fe(II) ion in clays
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| /dports/biology/ncbi-cxx-toolkit/ncbi_cxx--25_2_0/src/objects/pcsubstance/ |
| H A D | pcsubstance.asn | 513 …octahedral PC-StereoOctahedral, -- Octahedral (OC-6) / Square Pyramid (SPY-5) StereoC…
605 -- Octahedral (OC-6) and Square Pyramid (SPY-5) StereoCenters
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| /dports/biology/ncbi-blast+/ncbi-blast-2.12.0+-src/c++/src/objects/pcsubstance/ |
| H A D | pcsubstance.asn | 513 …octahedral PC-StereoOctahedral, -- Octahedral (OC-6) / Square Pyramid (SPY-5) StereoC…
605 -- Octahedral (OC-6) and Square Pyramid (SPY-5) StereoCenters
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| /dports/science/cdk/cdk-cdk-2.3/storage/smiles/src/test/java/org/openscience/cdk/smiles/ |
| H A D | SmilesParserTest.java | 58 import org.openscience.cdk.stereo.Octahedral;
2593 assertThat(se, instanceOf(Octahedral.class)); in oh1()
2603 assertThat(se, instanceOf(Octahedral.class)); in oh8()
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| /dports/science/tinker/tinker/params/ |
| H A D | mm3.prm | 1963 ## Angle Bending Parameters (Octahedral Bipyramid) ##
|