Package qsardes.descriptor
Class DescriptorConstitutional
java.lang.Object
qsardes.descriptor.DescriptorConstitutional
- All Implemented Interfaces:
Descriptor
- Direct Known Subclasses:
QsarMEConstitutional,QsarWBConstitutional
Constitutional descriptors abstract class.
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionGets descriptors names.Gets the descriptor class type.get_descriptor_values(AbstractMoleculeBuilder mol_build) Calculates descriptors values.protected abstract List<Map<String,AtomConstFunctionCall>> toString()
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Constructor Details
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DescriptorConstitutional
protected DescriptorConstitutional()
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Method Details
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toString
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get_descriptor_type
Description copied from interface:DescriptorGets the descriptor class type.- Specified by:
get_descriptor_typein interfaceDescriptor- Returns:
- Descriptor class type.
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get_descriptor_names
Description copied from interface:DescriptorGets descriptors names.- Specified by:
get_descriptor_namesin interfaceDescriptor- Returns:
- Descriptor names.
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get_descriptor_values
Description copied from interface:DescriptorCalculates descriptors values.- Specified by:
get_descriptor_valuesin interfaceDescriptor- Parameters:
mol_build- Molecular builder representation.- Returns:
- Descriptor values mapped as name:value.
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get_weights_list
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