test_class.declarator: smipar = null
test_class.modifier: private static
test_class.original_string: private static SmilesParser smipar = null;
test_class.type: SmilesParser
test_class.var_name: smipar
test_class.declarator: mmff   = null
test_class.modifier: private static
test_class.original_string: private static Mmff         mmff   = null;
test_class.type: Mmff
test_class.var_name: mmff
test_class.file: tool/forcefield/src/test/java/org/openscience/cdk/forcefield/mmff/MmffTest.java
test_class.identifier: MmffTest
test_case.body: @Test public void clearProps() throws InvalidSmilesException {
          IAtomContainer mol = loadSmi("o1cccc1");
          int sizeBefore = mol.getProperties().size();
          assertTrue(mmff.assignAtomTypes(mol));
          assertTrue(mmff.partialCharges(mol));
          mmff.clearProps(mol);
          assertThat(mol.getProperties().size(), is(sizeBefore));
      }
test_case.class_method_signature: MmffTest.clearProps()
test_case.full_signature: @Test public void clearProps()
test_case.identifier: clearProps
test_case.invocations: loadSmi size getProperties assertTrue assignAtomTypes assertTrue partialCharges clearProps assertThat size getProperties is
test_case.modifiers: @Test public
test_case.parameters: ()
test_case.return: void
test_case.signature: void clearProps()
focal_class.declarator: MMFF_ADJLIST_CACHE = "mmff.adjlist.cache"
focal_class.modifier: private static final
focal_class.original_string: private static final String MMFF_ADJLIST_CACHE = "mmff.adjlist.cache";
focal_class.type: String
focal_class.var_name: MMFF_ADJLIST_CACHE
focal_class.declarator: MMFF_EDGEMAP_CACHE = "mmff.edgemap.cache"
focal_class.modifier: private static final
focal_class.original_string: private static final String MMFF_EDGEMAP_CACHE = "mmff.edgemap.cache";
focal_class.type: String
focal_class.var_name: MMFF_EDGEMAP_CACHE
focal_class.declarator: MMFF_AROM          = "mmff.arom"
focal_class.modifier: private static final
focal_class.original_string: private static final String MMFF_AROM          = "mmff.arom";
focal_class.type: String
focal_class.var_name: MMFF_AROM
focal_class.declarator: mmffAtomTyper = new MmffAtomTypeMatcher()
focal_class.modifier: private final
focal_class.original_string: private final MmffAtomTypeMatcher mmffAtomTyper = new MmffAtomTypeMatcher();
focal_class.type: MmffAtomTypeMatcher
focal_class.var_name: mmffAtomTyper
focal_class.declarator: mmffParamSet  = MmffParamSet.INSTANCE
focal_class.modifier: private final
focal_class.original_string: private final MmffParamSet        mmffParamSet  = MmffParamSet.INSTANCE;
focal_class.type: MmffParamSet
focal_class.var_name: mmffParamSet
focal_class.file: tool/forcefield/src/main/java/org/openscience/cdk/forcefield/mmff/Mmff.java
focal_class.identifier: Mmff
focal_class.class_method_signature: Mmff.assignAtomTypes(IAtomContainer mol)
focal_class.full_signature: public boolean assignAtomTypes(IAtomContainer mol)
focal_class.identifier: assignAtomTypes
focal_class.modifiers: public
focal_class.parameters: (IAtomContainer mol)
focal_class.return: boolean
focal_class.signature: boolean assignAtomTypes(IAtomContainer mol)
focal_class.class_method_signature: Mmff.effectiveCharges(IAtomContainer mol)
focal_class.full_signature: public boolean effectiveCharges(IAtomContainer mol)
focal_class.identifier: effectiveCharges
focal_class.modifiers: public
focal_class.parameters: (IAtomContainer mol)
focal_class.return: boolean
focal_class.signature: boolean effectiveCharges(IAtomContainer mol)
focal_class.class_method_signature: Mmff.partialCharges(IAtomContainer mol)
focal_class.full_signature: public boolean partialCharges(IAtomContainer mol)
focal_class.identifier: partialCharges
focal_class.modifiers: public
focal_class.parameters: (IAtomContainer mol)
focal_class.return: boolean
focal_class.signature: boolean partialCharges(IAtomContainer mol)
focal_class.class_method_signature: Mmff.clearProps(IAtomContainer mol)
focal_class.full_signature: public void clearProps(IAtomContainer mol)
focal_class.identifier: clearProps
focal_class.modifiers: public
focal_class.parameters: (IAtomContainer mol)
focal_class.return: void
focal_class.signature: void clearProps(IAtomContainer mol)
focal_class.class_method_signature: Mmff.primaryCharges(IAtomContainer mol, int[][] adjList, GraphUtil.EdgeToBondMap edgeMap)
focal_class.full_signature:  void primaryCharges(IAtomContainer mol, int[][] adjList, GraphUtil.EdgeToBondMap edgeMap)
focal_class.identifier: primaryCharges
focal_class.parameters: (IAtomContainer mol, int[][] adjList, GraphUtil.EdgeToBondMap edgeMap)
focal_class.return: void
focal_class.signature: void primaryCharges(IAtomContainer mol, int[][] adjList, GraphUtil.EdgeToBondMap edgeMap)
focal_class.class_method_signature: Mmff.effectiveCharges(IAtomContainer mol, int[][] adjList)
focal_class.full_signature:  void effectiveCharges(IAtomContainer mol, int[][] adjList)
focal_class.identifier: effectiveCharges
focal_class.parameters: (IAtomContainer mol, int[][] adjList)
focal_class.return: void
focal_class.signature: void effectiveCharges(IAtomContainer mol, int[][] adjList)
focal_class.class_method_signature: Mmff.getAromatics(IAtomContainer mol)
focal_class.full_signature: private Set<IChemObject> getAromatics(IAtomContainer mol)
focal_class.identifier: getAromatics
focal_class.modifiers: private
focal_class.parameters: (IAtomContainer mol)
focal_class.return: Set<IChemObject>
focal_class.signature: Set<IChemObject> getAromatics(IAtomContainer mol)
focal_class.class_method_signature: Mmff.fCharge(IAtom atom)
focal_class.full_signature:  int fCharge(IAtom atom)
focal_class.identifier: fCharge
focal_class.parameters: (IAtom atom)
focal_class.return: int
focal_class.signature: int fCharge(IAtom atom)
focal_method.body: public void clearProps(IAtomContainer mol) {
          mol.removeProperty(MMFF_EDGEMAP_CACHE);
          mol.removeProperty(MMFF_ADJLIST_CACHE);
          for (IBond bond : mol.bonds())
              bond.removeProperty(MMFF_AROM);
      }
focal_method.class_method_signature: Mmff.clearProps(IAtomContainer mol)
focal_method.full_signature: public void clearProps(IAtomContainer mol)
focal_method.identifier: clearProps
focal_method.invocations: removeProperty removeProperty bonds removeProperty
focal_method.modifiers: public
focal_method.parameters: (IAtomContainer mol)
focal_method.return: void
focal_method.signature: void clearProps(IAtomContainer mol)