MapQuant: massspec/param.h Source File

00001 #ifndef _PARAM_H_ 00002 #define _PARAM_H_ 00003 00004 /* Copyright (c) Kyriacos Leptos and the President and Fellows of Harvard University 00005 Release Date: 2004-11-01 00006 Part of the MapQuant suite library "massspec.lib" 00007 */ 00008 00009 /* CURVE FITTING PARAMETERS */ 00010 00011 typedef enum 00012 { PARAM_RT = 0x00000001, 00013 PARAM_MZ = 0x00000002, 00014 PARAM_Z = 0x00000004, 00015 PARAM_C = 0x00000008, 00016 PARAM_SIGMA_MZ = 0x00000010, 00017 PARAM_SIGMA_RT = 0x00000020, 00018 PARAM_ABUNDANCE = 0x00000040, 00019 PARAM_RT_FIT_DISPL = 0x10000000, 00020 PARAM_MZ_FIT_DISPL = 0x20000000, 00021 PARAM_ALL = 0xFFFFFFFF 00022 } ParameterName; 00023 00024 extern int* CURVE_ARRAY; 00025 00026 extern float NR_GAUSSIAN_INIT_N; 00027 00028 extern float NR_EM_GAUSSIAN_INIT_U; 00029 extern float NR_EM_GAUSSIAN_INIT_V; 00030 00031 extern float NR_GAUSSIOID_INIT_U; // sigma t 00032 extern float NR_GAUSSIOID_INIT_N; // sigma m 00033 00034 extern float NR_BD_GAUSSIOID_INIT_U; // sigma t 00035 extern float NR_BD_GAUSSIOID_INIT_N; // sigma m 00036 extern float* NR_BD_GAUSSIOID_INIT_Z; // charge 00037 extern int* NR_BD_GAUSSIOID_INIT_C; // carbons 00038 extern float* NR_BD_GAUSSIOID_INIT_M; // m/z 00039 extern float NR_GAUSSIOID_INIT_VN[6]; 00040 extern int NR_GAUSSIOID_INIT_VN_ON; 00041 00042 float* loadParameterArrayFromFile(char* filename, int* no_param); 00043 int loadNumberOfParametersFromFile(char* filename); 00044 int* loadParameterStateArrayFromFile(char* filename); 00045 void normalizeParArray(float* par_array, int size); 00046 int* getStateParamArray(int n, int* pattern, int n_per_pattern); 00047 00048 00049 int ParamArray_checkForNegatives(float* array, int nsize); 00050 00051 float* ParamArray_getInitialConditions(int curve, Map2D* MAP, Peak2i* PEAKS, int no_peaks); 00052 00053 00054 void Param_fprintParamArrayMultipleCurve(FILE* fp, float* param_array, int* pCurves, int nCurves); 00055 void Param_fprintStateArrayMultipleCurve(FILE* fp, int* state_param_array, int* pCurves, int nCurves); 00056 void ParamArray_fprint(FILE* fp, float* param_array, int nparam); 00057 00058 int cmpParamArrays(float* par_array, float* prev_par_array, int size); 00059 00060 #endif 00061