Package | Description |
---|---|
ambit2.groupcontribution | |
ambit2.groupcontribution.correctionfactors |
Modifier and Type | Method and Description |
---|---|
ICorrectionFactor |
GCMParser.getCorrectionFactorFromString(String cfStr) |
Modifier and Type | Method and Description |
---|---|
List<ICorrectionFactor> |
GroupContributionModel.getCorrectionFactors() |
static Map<ICorrectionFactor,Double> |
Calculator.getCorrectionFactorsCount(org.openscience.cdk.interfaces.IAtomContainer mol,
GroupContributionModel model) |
List<ICorrectionFactor> |
GCMParser.getCorrectionFactorsFromString(String cfStr,
char separator) |
Modifier and Type | Method and Description |
---|---|
void |
GroupContributionModel.addCorrectionFactor(ICorrectionFactor corrFactor) |
String |
GroupContributionModel.getCorrectionFactorsParametersAsJsonArray(ICorrectionFactor cf) |
Modifier and Type | Method and Description |
---|---|
void |
GroupContributionModel.setCorrectionFactors(List<ICorrectionFactor> correctionFactors) |
Modifier and Type | Class and Description |
---|---|
class |
AtomPairCorrectionFactor |
class |
DescriptorCorrectionFactor |
class |
SmartsCorrectionFactor |
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