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Commits : Listings

Analyzed about 23 hours ago. based on code collected 1 day ago.
Apr 15, 2023 — Apr 15, 2024
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Fixed Crimson XML parser load bug.
r_apodaca
More... about 18 years ago
Implemented ForeignContent method of customizing FlexMolWriter.
r_apodaca
More... over 18 years ago
Added extensibility to FlexMolHandler and associated unit tests.
r_apodaca
More... over 18 years ago
Fixed bug in FlexMolWriter that caused repeat writing to accumulate previous state. Replaced FlexMol writing in unit tests with round-trip code for all RepresentationKit methods. Created Ant target that writes all RepresentationKit representations for dist target.
r_apodaca
More... over 18 years ago
Renamed TesMolecules to RepresentationKit; removed xmrl reference in build.xml.
r_apodaca
More... over 18 years ago
Implemented FlexMolWriter.
r_apodaca
More... over 18 years ago
Implemented conformation in FlexMolHandler.
r_apodaca
More... over 18 years ago
Implemented reading nonbondingShell tag in BasicFlexMolHandler.
r_apodaca
More... over 18 years ago
Removed unused hydrogen perception code.
r_apodaca
More... over 18 years ago
Updated javadoc.
r_apodaca
More... over 18 years ago
Removed implicit hydrogen detection from RepresentationBuilder implementations.
r_apodaca
More... over 18 years ago
Implementation of FlexMol package. This includes a W3X XML Schema, documentation capability for this schema with "xsddoc", and several example files. The example files are not currently compliant with the FlexMol specification. RepresentationBuilder has been updated with the addHydrogens method to better clarify the role of this interface. Remaining still is the modification of the TestMolecules class to reflect the new RepresentationBuilder interface, and the complete implementation of the RepresentationBuilder changes by Abstract/BasicMoleculeBuilder.
r_apodaca
More... over 18 years ago
First stage implementation of RepresenationBuilder.addImplicitHydrogens. Continued implementation of OML reader and writer.
r_apodaca
More... over 18 years ago
Removed unnecessary cast.
r_apodaca
More... over 18 years ago
Added static final long serialVersionUID field to serializable classes.
r_apodaca
More... over 18 years ago
Removed unused code.
r_apodaca
More... over 18 years ago
Initial implementation of Octet Markup Language (OML).
r_apodaca
More... over 18 years ago
Added getBondingSystemIndex method to BondingSystemCollection.
r_apodaca
More... over 18 years ago
Updated version in build.xml.
r_apodaca
More... over 18 years ago
Updated javadoc.
r_apodaca
More... over 18 years ago
Protected methods better reflect intent of AbstractRepresentationBuilder interface.
r_apodaca
More... over 18 years ago
Added AbstractMoleculeBuilder to provide greater access to the MoleculeBuilder implementation.
r_apodaca
More... over 18 years ago
Fixed javadoc error.
r_apodaca
More... over 18 years ago
AtomPairCollection.getAtomPair(Atom source, Atom target) now throws NoSuchAtomPairException (closes #1274844).
r_apodaca
More... over 18 years ago
Replaced one-arg OctetTestCase constructor with no-arg constructor (closes #
r_apodaca
More... over 18 years ago
Introduced AbstractRepresenationBuilder. Updated documentation. Closes requests 1274861, 1274866, and 1281360.
r_apodaca
More... over 18 years ago
Fixed Atom output of MoleculePrinter.
r_apodaca
More... over 18 years ago
Added CycleSystemTraverser, BasicCycleSystemTraverser and unit test (closes request #1258818). Removed AromaticityQuery and test-related code (closes request #1265540).
r_apodaca
More... over 18 years ago
Updated javadoc (closes bug #1258815).
r_apodaca
More... over 18 years ago
Changed AtomicSystem getSymbol method (closes request #1258814).
r_apodaca
More... over 18 years ago