lFRET(API)

DataManip/simulation/src/lFRETはFRET法のためのAPI です。

定数

Point Status Mode

typedef enum energyTransferPointMode {
    energyTransferPointModeFixedPoint   = 0,
    energyTransferPointModeUnfixedPoint = 1,
    energyTransferPointModeConnect      = 2,     
    energyTransferPointModeFar          = 3,   
    energyTransferPointModeNear         = 4     
} energyTransferPointMode;

構造体

typedef double energyTransferParaTypeReal;

Point Information

typedef struct energyTransferPoint {
	int nID;
	char* ID;
	energyTransferPointMode mode;
	energyTransferParaTypeReal x;
	energyTransferParaTypeReal y;
	energyTransferParaTypeReal z;
	energyTransferParaTypeReal rootB;
	energyTransferParaTypeReal radius; 
	energyTransferParaTypeReal probability;
} energyTransferPoint;

Connection Information

typedef struct energyTransferConnect {
	int nID;
	char* ID;
	int nID2;
	char* ID2;
	energyTransferPointMode    mode;   
	energyTransferParaTypeReal length; 
	energyTransferParaTypeReal estimatedLength;
	energyTransferParaTypeReal rootB;
	energyTransferParaTypeReal estimatedRootB;
} energyTransferConnect;

Energy Transfer Data

typedef struct energyTransferData {
	int numFix; 
	energyTransferPoint* fix;
	int numUnfix;
	energyTransferPoint* unfix;
	int numConnect;
	energyTransferConnect* connect;
	energyTransferParaTypeReal rms;
	energyTransferParaTypeReal rmsRootB;
} energyTransferData;

Information for model checking

typedef struct lenergyTransferModelCheckInfo {
	int flagStartingDelta;
	energyTransferParaTypeReal sdx;
	energyTransferParaTypeReal sdy;
	energyTransferParaTypeReal sdz;
	energyTransferParaTypeReal neglect;
	int excludedPDB;
	int restriction;
	int iter;
} lenergyTransferModelCheckInfo;

API

extern void lenergyTransferModelCheck(
	energyTransferData* src, 
	mrcImage* unfix, mrcImage* fix,
	lenergyTransferModelCheckInfo linfo, int mode);

extern void lenergyTransferModelExpectedFRET(
	FILE* fpt, 
	energyTransferData* src, 
	mrcImage* unfix,
	lenergyTransferModelCheckInfo linfo, 
	int mode);

extern void lenergyTransferModelExpectedFRET2(
	FILE* fpt, 
	energyTransferData* src, 
	mrcImage* unfix,
	lenergyTransferModelCheckInfo linfo, 
	int mode);

extern void lenergyTransferModelExpectedFRETSD(
	FILE* fpt, 
	energyTransferData* src, 
	mrcImage* unfix,
	lenergyTransferModelCheckInfo linfo, 
	int mode);

extern void energyTransferDataWrite(
	energyTransferData* dst, 
	FILE* fpt, 
	int lmode);
extern void energyTransferDataRead(
	energyTransferData* dst, 
	FILE* fpt, 
	int lmode);