lFRET(API)
提供: Eospedia
DataManip/simulation/src/lFRETはFRET法のためのAPI です。
目次
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);