Minor corrections. |
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about 17 years ago
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Corrected isomerism detection. |
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about 17 years ago
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Javadoc update |
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almost 18 years ago
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Bugfix: SMILESParser |
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almost 18 years ago
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Switching debugging mode off in default build targets. |
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about 18 years ago
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External processes added. |
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about 18 years ago
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Clique detection |
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about 18 years ago
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Updated ChangeLog |
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about 18 years ago
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Some minor bugfixes. |
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about 18 years ago
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First check-in after doing not much in the last few months. |
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over 18 years ago
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Bug fix: equal method |
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over 18 years ago
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Misc updates. |
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almost 19 years ago
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Allow switching OFF the aromaticity check and assignment. |
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about 19 years ago
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Patched CML violations suggested by Egon Willighagen. |
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about 19 years ago
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API:Very minor Javadoc updates. |
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about 19 years ago
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Bug fix: Consolidating caller hierarchy for protonation model. |
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about 19 years ago
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Kernel log update. |
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about 19 years ago
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New PMD rule. |
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about 19 years ago
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Bug fix: Ensure applied protonation model before SMARTS matching. |
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about 19 years ago
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Added characteristic polynomial calculation. |
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about 19 years ago
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Bug fix: Wrong atom indexing for last atom label. |
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about 19 years ago
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Added SMARTS algorithm complexity. |
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about 19 years ago
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Workaround for problem in protonation model for amides. |
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about 19 years ago
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Added formal charge check. |
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about 19 years ago
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Code cleanup: Atom and bond labels. |
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about 19 years ago
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Code cleanup. |
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about 19 years ago
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Kernel log update. |
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about 19 years ago
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Bug fix: Caller hierachy for atom typer and deleting atoms. |
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about 19 years ago
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Do not nuke data when loading MDLSD. |
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about 19 years ago
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SSSR should be also nuked when calling end modify. |
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about 19 years ago
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