Package | Description |
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org.openscience.cdk.smsd.algorithm.matchers | |
org.openscience.cdk.smsd.ring |
Modifier and Type | Class and Description |
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class |
DefaultMCSPlusAtomMatcher
Checks if atom is matching between query and target molecules.
|
class |
DefaultRGraphAtomMatcher
Checks if atom is matching between query and target molecules.
|
Modifier and Type | Method and Description |
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static boolean |
DefaultMatcher.isAtomMatch(AtomMatcher atomMatcher1,
AtomMatcher atomMatcher2,
IAtomContainer ac2,
IBond bondA2,
boolean shouldMatchBonds) |
Constructor and Description |
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RingFilter(AtomMatcher filter,
RingFinder finder) |