From e77cc376aaff8ca481fdace6d5795c5b5feb0e87 Mon Sep 17 00:00:00 2001 From: Andreas Maunz Date: Mon, 20 Feb 2012 14:45:20 +0100 Subject: Added pc descriptor calc service --- java/joelib2/molecule/AbstractAtom.class | Bin 0 -> 616 bytes java/joelib2/molecule/AbstractBond.class | Bin 0 -> 212 bytes java/joelib2/molecule/AbstractConformerAtom.class | Bin 0 -> 243 bytes java/joelib2/molecule/AbstractConformerMolecule.class | Bin 0 -> 216 bytes java/joelib2/molecule/AbstractMolecule.class | Bin 0 -> 923 bytes java/joelib2/molecule/Atom.class | Bin 0 -> 2257 bytes java/joelib2/molecule/AtomHelper.class | Bin 0 -> 11153 bytes java/joelib2/molecule/AtomTree.class | Bin 0 -> 901 bytes java/joelib2/molecule/AtomZPosComparator.class | Bin 0 -> 728 bytes java/joelib2/molecule/BasicBond.class | Bin 0 -> 5418 bytes java/joelib2/molecule/BasicConformerAtom.class | Bin 0 -> 10261 bytes java/joelib2/molecule/BasicConformerMolecule.class | Bin 0 -> 28669 bytes java/joelib2/molecule/BasicDataHolder.class | Bin 0 -> 3958 bytes java/joelib2/molecule/BasicElement.class | Bin 0 -> 2702 bytes java/joelib2/molecule/BasicMoleculeVector.class | Bin 0 -> 3656 bytes java/joelib2/molecule/Bond.class | Bin 0 -> 1099 bytes java/joelib2/molecule/BondComparator.class | Bin 0 -> 657 bytes java/joelib2/molecule/BondHelper.class | Bin 0 -> 3502 bytes java/joelib2/molecule/ChiralityHelper.class | Bin 0 -> 2910 bytes java/joelib2/molecule/ConformerAtom.class | Bin 0 -> 264 bytes java/joelib2/molecule/ConformerMolecule.class | Bin 0 -> 1039 bytes java/joelib2/molecule/ConnectionHelper.class | Bin 0 -> 3030 bytes java/joelib2/molecule/DataHolder.class | Bin 0 -> 475 bytes java/joelib2/molecule/Edge.class | Bin 0 -> 527 bytes java/joelib2/molecule/Graph.class | Bin 0 -> 74 bytes java/joelib2/molecule/IsomerismHelper.class | Bin 0 -> 3910 bytes java/joelib2/molecule/KekuleHelper.class | Bin 0 -> 11580 bytes java/joelib2/molecule/Molecule.class | Bin 0 -> 4549 bytes java/joelib2/molecule/MoleculeHelper.class | Bin 0 -> 6832 bytes java/joelib2/molecule/MoleculeVector.class | Bin 0 -> 664 bytes java/joelib2/molecule/Node.class | Bin 0 -> 618 bytes java/joelib2/molecule/ProtonationHelper.class | Bin 0 -> 8436 bytes java/joelib2/molecule/charge/GasteigerMarsili.class | Bin 0 -> 5795 bytes .../joelib2/molecule/charge/GasteigerMarsiliState.class | Bin 0 -> 1091 bytes .../molecule/fragmentation/ContiguousFragments.class | Bin 0 -> 4601 bytes java/joelib2/molecule/fragmentation/Fragmentation.class | Bin 0 -> 352 bytes .../molecule/fragmentation/SMARTSFragmentation.class | Bin 0 -> 2934 bytes .../molecule/generation/MolGenerationHelper.class | Bin 0 -> 3679 bytes java/joelib2/molecule/types/AtomAtomProperties.class | Bin 0 -> 456 bytes java/joelib2/molecule/types/AtomProperties.class | Bin 0 -> 485 bytes java/joelib2/molecule/types/AtomPropertyColoring.class | Bin 0 -> 345 bytes java/joelib2/molecule/types/AtomPropertyHelper.class | Bin 0 -> 3479 bytes .../molecule/types/BasicAtomPropertyColoring.class | Bin 0 -> 2921 bytes java/joelib2/molecule/types/BasicExternalBond.class | Bin 0 -> 1032 bytes java/joelib2/molecule/types/BasicExternalBondData.class | Bin 0 -> 965 bytes java/joelib2/molecule/types/BasicPairData.class | Bin 0 -> 2062 bytes java/joelib2/molecule/types/BasicPairDataCML.class | Bin 0 -> 1855 bytes java/joelib2/molecule/types/BasicPose.class | Bin 0 -> 936 bytes java/joelib2/molecule/types/BasicRGroupData.class | Bin 0 -> 1100 bytes java/joelib2/molecule/types/BasicResidue.class | Bin 0 -> 4107 bytes java/joelib2/molecule/types/BasicVirtualBond.class | Bin 0 -> 798 bytes java/joelib2/molecule/types/BondProperties.class | Bin 0 -> 423 bytes java/joelib2/molecule/types/BondPropertyHelper.class | Bin 0 -> 2992 bytes java/joelib2/molecule/types/ExternalBond.class | Bin 0 -> 324 bytes java/joelib2/molecule/types/ExternalBondData.class | Bin 0 -> 162 bytes java/joelib2/molecule/types/PairData.class | Bin 0 -> 485 bytes java/joelib2/molecule/types/PairDataCML.class | Bin 0 -> 650 bytes java/joelib2/molecule/types/Pose.class | Bin 0 -> 412 bytes java/joelib2/molecule/types/RGroupData.class | Bin 0 -> 361 bytes java/joelib2/molecule/types/Residue.class | Bin 0 -> 979 bytes java/joelib2/molecule/types/VirtualBond.class | Bin 0 -> 265 bytes 61 files changed, 0 insertions(+), 0 deletions(-) create mode 100644 java/joelib2/molecule/AbstractAtom.class create mode 100644 java/joelib2/molecule/AbstractBond.class create mode 100644 java/joelib2/molecule/AbstractConformerAtom.class create mode 100644 java/joelib2/molecule/AbstractConformerMolecule.class create mode 100644 java/joelib2/molecule/AbstractMolecule.class create mode 100644 java/joelib2/molecule/Atom.class create mode 100644 java/joelib2/molecule/AtomHelper.class create mode 100644 java/joelib2/molecule/AtomTree.class create mode 100644 java/joelib2/molecule/AtomZPosComparator.class create mode 100644 java/joelib2/molecule/BasicBond.class create mode 100644 java/joelib2/molecule/BasicConformerAtom.class create mode 100644 java/joelib2/molecule/BasicConformerMolecule.class create mode 100644 java/joelib2/molecule/BasicDataHolder.class create mode 100644 java/joelib2/molecule/BasicElement.class create mode 100644 java/joelib2/molecule/BasicMoleculeVector.class create mode 100644 java/joelib2/molecule/Bond.class create mode 100644 java/joelib2/molecule/BondComparator.class create mode 100644 java/joelib2/molecule/BondHelper.class create mode 100644 java/joelib2/molecule/ChiralityHelper.class create mode 100644 java/joelib2/molecule/ConformerAtom.class create mode 100644 java/joelib2/molecule/ConformerMolecule.class create mode 100644 java/joelib2/molecule/ConnectionHelper.class create mode 100644 java/joelib2/molecule/DataHolder.class create mode 100644 java/joelib2/molecule/Edge.class create mode 100644 java/joelib2/molecule/Graph.class create mode 100644 java/joelib2/molecule/IsomerismHelper.class create mode 100644 java/joelib2/molecule/KekuleHelper.class create mode 100644 java/joelib2/molecule/Molecule.class create mode 100644 java/joelib2/molecule/MoleculeHelper.class create mode 100644 java/joelib2/molecule/MoleculeVector.class create mode 100644 java/joelib2/molecule/Node.class create mode 100644 java/joelib2/molecule/ProtonationHelper.class create mode 100644 java/joelib2/molecule/charge/GasteigerMarsili.class create mode 100644 java/joelib2/molecule/charge/GasteigerMarsiliState.class create mode 100644 java/joelib2/molecule/fragmentation/ContiguousFragments.class create mode 100644 java/joelib2/molecule/fragmentation/Fragmentation.class create mode 100644 java/joelib2/molecule/fragmentation/SMARTSFragmentation.class create mode 100644 java/joelib2/molecule/generation/MolGenerationHelper.class create mode 100644 java/joelib2/molecule/types/AtomAtomProperties.class create mode 100644 java/joelib2/molecule/types/AtomProperties.class create mode 100644 java/joelib2/molecule/types/AtomPropertyColoring.class create mode 100644 java/joelib2/molecule/types/AtomPropertyHelper.class create mode 100644 java/joelib2/molecule/types/BasicAtomPropertyColoring.class create mode 100644 java/joelib2/molecule/types/BasicExternalBond.class create mode 100644 java/joelib2/molecule/types/BasicExternalBondData.class create mode 100644 java/joelib2/molecule/types/BasicPairData.class create mode 100644 java/joelib2/molecule/types/BasicPairDataCML.class create mode 100644 java/joelib2/molecule/types/BasicPose.class create mode 100644 java/joelib2/molecule/types/BasicRGroupData.class create mode 100644 java/joelib2/molecule/types/BasicResidue.class create mode 100644 java/joelib2/molecule/types/BasicVirtualBond.class create mode 100644 java/joelib2/molecule/types/BondProperties.class create mode 100644 java/joelib2/molecule/types/BondPropertyHelper.class create mode 100644 java/joelib2/molecule/types/ExternalBond.class create mode 100644 java/joelib2/molecule/types/ExternalBondData.class create mode 100644 java/joelib2/molecule/types/PairData.class create mode 100644 java/joelib2/molecule/types/PairDataCML.class create mode 100644 java/joelib2/molecule/types/Pose.class create mode 100644 java/joelib2/molecule/types/RGroupData.class create mode 100644 java/joelib2/molecule/types/Residue.class create mode 100644 java/joelib2/molecule/types/VirtualBond.class (limited to 'java/joelib2/molecule') diff --git a/java/joelib2/molecule/AbstractAtom.class b/java/joelib2/molecule/AbstractAtom.class new file mode 100644 index 0000000..581cd6d Binary files /dev/null and b/java/joelib2/molecule/AbstractAtom.class differ diff --git a/java/joelib2/molecule/AbstractBond.class b/java/joelib2/molecule/AbstractBond.class new file mode 100644 index 0000000..47dfa5d Binary files /dev/null and b/java/joelib2/molecule/AbstractBond.class differ diff --git a/java/joelib2/molecule/AbstractConformerAtom.class 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