#include <MoleculeDecomposition.hh>
Abstract class to report matched molecule components and accordingly the labeled match-graph.
Definition at line 45 of file MoleculeDecomposition.hh.
ggl::chem::MoleculeDecomposition::DecompositionReporter::DecompositionReporter |
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virtual ggl::chem::MoleculeDecomposition::DecompositionReporter::~DecompositionReporter |
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virtual void ggl::chem::MoleculeDecomposition::DecompositionReporter::reportComponent |
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const MoleculeComponent & |
component, |
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const size_t |
matchCount, |
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const size_t |
matchID |
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Reports a component that was matched and its according ID in the final match graph
- Parameters
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component | the component that was matched |
matchCount | the number of matches found |
matchID | the ID of the component in the final match graph |
virtual void ggl::chem::MoleculeDecomposition::DecompositionReporter::reportInteraction |
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const std::string & |
interactionDescription, |
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const size_t |
matchCount |
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Reports an interaction pattern that was matched
- Parameters
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interactionDescription | the interaction that was matched |
matchCount | the number of matches found |
virtual void ggl::chem::MoleculeDecomposition::DecompositionReporter::reportMatchComplete |
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const bool |
matchComplete | ) |
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Reports whether or not the complete graph (all nodes) were successfully mapped or not.
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matchComplete | true, if all nodes have been mapped; false otherwise. |
virtual void ggl::chem::MoleculeDecomposition::DecompositionReporter::reportMatchGraph |
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const sgm::Graph_Interface & |
graph | ) |
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Reports the final match graph where each matched component ID is given as class information of the matched nodes.
- Parameters
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virtual void ggl::chem::MoleculeDecomposition::DecompositionReporter::reportPolyPhosphate |
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const size_t |
numOfMiddlePhosphates, |
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const size_t |
matchID |
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Reports the matching of a polyphosphate chain. Only the number and match ID of the middle phosphates is given. The end phosphate is reported as independent component.
- Parameters
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numOfMiddlePhosphates | the number of middle phosphate matches found |
matchID | the ID of the component in the final match graph |
virtual void ggl::chem::MoleculeDecomposition::DecompositionReporter::reportSmallMolecule |
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const MoleculeComponent & |
smallMolecule | ) |
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Reports the matching of a full small molecule.
- Parameters
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smallMolecule | the small molecule matched |
The documentation for this class was generated from the following file: