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public: | |
struct | SegmentationParams ; |
typedef vector< leda_node> | Component; |
typedef vector< Component> | Components; |
Segmentation(Net& net, NodeType nType); | |
const SurfacePatches& | getPatches() const ; |
void | runAllSegmentationSteps(const SegmentationParams& segParams); |
int | buildSegmentationNet(); |
int | computeComponents(const SegmentationParams& segmentationParams); |
void | output2PDB(const char* type, ofstream& outputFile, bool interface ); |
void | computeInterfaceComponents(); |
void | computeComponentsProperties(); |
void | computeComponentsPropensities(const ChemMolecule& mol, FilterType filter); |
void | prunePatches(float thr); |
void | outputComponentsProperties(ostream& out, const ChemMolecule& mol); |
protected: |
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struct SegmentationParams ;
Segmentation parameters
struct SegmentationParams { //// default constructor SegmentationParams() : low_patch_thr(10.0), high_patch_thr(20.0), prune_thr(1.5), hotSpotFilter(0) { patches[0]=1; patches[1]=0; patches[2]=1; } //// read from parameter file bool add(const string str) { if(sscanf(str.c_str(), "%f %f %f %hd %hd %hd %hd", &low_patch_thr, &high_patch_thr, &prune_thr, &patches[0], &patches[1], &patches[2], &hotSpotFilter) != 7) return false; return true; } //// float low_patch_thr; //// float high_patch_thr; //// float prune_thr; //// short patches[3]; //// short hotSpotFilter; };
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typedef vector< leda_node> Component;
typedef vector< leda_node> Component;
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typedef vector< Component> Components;
typedef vector< Component> Components;
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Segmentation(Net& net, NodeType nType);
Segmentation(Net& net, NodeType nType);
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const SurfacePatches& getPatches() const ;
const SurfacePatches& getPatches() const ;
Function is currently defined inline.
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void runAllSegmentationSteps(const SegmentationParams& segParams);
void runAllSegmentationSteps(const SegmentationParams& segParams);
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int buildSegmentationNet();
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int computeComponents(const SegmentationParams& segmentationParams);
int computeComponents(const SegmentationParams& segmentationParams);
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void output2PDB(const char* type, ofstream& outputFile, bool interface );
void output2PDB(const char* type, ofstream& outputFile, bool interface = false);
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void computeInterfaceComponents();
void computeInterfaceComponents();
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void computeComponentsProperties();
void computeComponentsProperties();
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void computeComponentsPropensities(const ChemMolecule& mol, FilterType filter);
void computeComponentsPropensities(const ChemMolecule& mol, FilterType filter);
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void prunePatches(float thr);
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void outputComponentsProperties(ostream& out, const ChemMolecule& mol);
statistic data
void outputComponentsProperties(ostream& out, const ChemMolecule& mol);
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public: | ||
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struct | SegmentationParams ; | |
typedef vector< leda_node> | Component; | |
typedef vector< Component> | Components; | |
const SurfacePatches& | getPatches() const ; | |
void | runAllSegmentationSteps(const SegmentationParams& segParams); | |
int | buildSegmentationNet(); | |
int | computeComponents(const SegmentationParams& segmentationParams); | |
void | output2PDB(const char* type, ofstream& outputFile, bool interface ); | |
void | computeInterfaceComponents(); | |
void | computeComponentsProperties(); | |
void | computeComponentsPropensities(const ChemMolecule& mol, FilterType filter); | |
void | prunePatches(float thr); | |
void | outputComponentsProperties(ostream& out, const ChemMolecule& mol); | |
protected: |
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