prefuse test update - and we'll give up that hyperapplet thing |
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over 17 years ago
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IProcessRule.process to return Object |
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over 17 years ago
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initial test for prefuse visualization |
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over 17 years ago
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1'hydroxy group definition updated to allow carbons in a ring |
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over 17 years ago
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Javadoc |
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over 17 years ago
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set ISAROMATIC flag for the rings, if all atoms of the ring are aromatic |
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over 17 years ago
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update some tests to throw exceptions |
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over 17 years ago
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TODO added |
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over 17 years ago
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fixed createAtomContainer() method |
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over 17 years ago
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update some tests to throw exceptions |
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over 17 years ago
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update some tests to throw exceptions |
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over 17 years ago
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creates properties if propertychangesupport is requested |
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over 17 years ago
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updated to test openbabel parser |
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over 17 years ago
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update some tests to throw exceptions |
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over 17 years ago
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io tests update |
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over 17 years ago
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added check when getFormalCharge is null |
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over 17 years ago
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added check when getFormalCharge is null |
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over 17 years ago
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test fixed |
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over 17 years ago
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erroneous [Ca+] fixed [Ca+2] |
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over 17 years ago
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Global preferences classes and UI |
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over 17 years ago
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updated to use IMolecule instead of Molecule type |
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over 17 years ago
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Path to Munro test files updated |
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over 17 years ago
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removed println statements |
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over 17 years ago
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update images (some added, some replaced, new ImageTools class for image loading) |
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over 17 years ago
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generate2D upon entering structure by smiles |
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over 17 years ago
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updated substituents |
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over 17 years ago
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Introduced an interface to mark if a rule involves descriptor calculation. |
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over 17 years ago
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a field and methods to set the molecule which was submitted originally for calculation |
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over 17 years ago
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update dto use IMolecule instead of Molecule |
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over 17 years ago
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visited flag in walkrules updated to use IDecisionRule.getNum instead of getID |
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over 17 years ago
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