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Commit 0392963f authored by Pilar Cossio's avatar Pilar Cossio
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Included Input Checks

parent 92e7d74a
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Showing with 217 additions and 127 deletions
bioem.cpp
View file @ 0392963f
......@@ -47,11 +47,11 @@ bioem::~bioem()
int bioem::configure(int ac, char* av[])
{
/**************************************************************************************/
/**** Configuration Routine using boost for extracting parameters, models and maps ****/
/**************************************************************************************/
/****** And Precalculating necessary grids, map crosscorrelations and kernels ********/
/*************************************************************************************/
//**************************************************************************************
//**** Configuration Routine using boost for extracting parameters, models and maps ****
//**************************************************************************************
//****** And Precalculating necessary grids, map crosscorrelations and kernels ********
//*************************************************************************************
/*** Inizialzing default variables ***/
std::string infile,modelfile,mapfile;
......@@ -61,19 +61,20 @@ int bioem::configure(int ac, char* av[])
RefMap.loadMap = false;
RefMap.readMRC = false;
RefMap.readMultMRC = false;
/*************************************************************************************/
cout << " ++++++++++++ FROM COMMAND LINE +++++++++++\n\n";
/*************************************************************************************/
//*************************************************************************************
cout << "+++++++++++++ FROM COMMAND LINE +++++++++++\n\n";
//*************************************************************************************
/********************* Command line reading input with BOOST ************************/
//********************* Command line reading input with BOOST ************************
try {
po::options_description desc("Command line inputs");
desc.add_options()
("Inputfile", po::value<std::string>(), "Name of input parameter file")
("Modelfile", po::value< std::string>() , "Name of model file")
("Particlesfile", po::value< std::string>(), "Name of paricles file")
("Inputfile", po::value<std::string>(), "(Mandatory) Name of input parameter file")
("Modelfile", po::value< std::string>() , "(Mandatory) Name of model file")
("Particlesfile", po::value< std::string>(), "(Mandatory) Name of paricles file")
("ReadPDB", "(Optional) If reading model file in PDB format")
("ReadMRC", "(Optional) If reading particle file in MRC format")
("ReadMultipleMRC", "(Optional) If reading Multiple MRCs")
......@@ -98,8 +99,9 @@ int bioem::configure(int ac, char* av[])
po::notify(vm);
if((ac < 6)) {
std::cout << desc << std::endl;
return 0;
std::cout << desc << std::endl;
exit(1);
return 0;
}
if (vm.count("help")) {
cout << "Usage: options_description [options]\n";
......@@ -111,7 +113,7 @@ int bioem::configure(int ac, char* av[])
{
cout << "Input file is: ";
cout << vm["Inputfile"].as< std::string >()<< "\n";
infile=vm["Inputfile"].as< std::string >();
infile=vm["Inputfile"].as< std::string >();
}
if (vm.count("Modelfile"))
{
......@@ -162,23 +164,23 @@ int bioem::configure(int ac, char* av[])
return 1;
}
/********************* Reading Parameter Input ***************************/
//********************* Reading Parameter Input ***************************
// copying inputfile to param class
param.fileinput = infile.c_str();
param.readParameters();
/********************* Reading Model Input ******************************/
//********************* Reading Model Input ******************************
// copying modelfile to model class
Model.filemodel = modelfile.c_str();
Model.readModel();
/********************* Reading Particle Maps Input **********************/
/********* HERE: PROBLEM if maps dont fit on the memory!! ***************/
//********************* Reading Particle Maps Input **********************
//********* HERE: PROBLEM if maps dont fit on the memory!! ***************
// copying mapfile to ref map class
RefMap.filemap = mapfile.c_str();
RefMap.readRefMaps(param);
/****************** Precalculating Necessary Stuff *********************/
//****************** Precalculating Necessary Stuff *********************
precalculate();
if (getenv("BIOEM_DEBUG_BREAK"))
......@@ -194,9 +196,9 @@ int bioem::configure(int ac, char* av[])
int bioem::precalculate()
{
/**************************************************************************************/
/* Precalculating Routine of Orientation grids, Map crosscorrelations and CTF Kernels */
/**************************************************************************************/
//**************************************************************************************
//* Precalculating Routine of Orientation grids, Map crosscorrelations and CTF Kernels *
//**************************************************************************************
// Generating Grids of orientations
param.CalculateGridsParam();
......@@ -224,12 +226,12 @@ int bioem::precalculate()
int bioem::run()
{
/**************************************************************************************/
/**** Main BioEM routine, projects, convolutes and compares with Map using OpenMP ****/
/**************************************************************************************/
//**************************************************************************************
//**** Main BioEM routine, projects, convolutes and compares with Map using OpenMP ****
//**************************************************************************************
/**** If we want to control the number of threads -> omp_set_num_threads(XX); ******/
/****************** Declarying class of Probability Pointer *************************/
//**** If we want to control the number of threads -> omp_set_num_threads(XX); ******
//****************** Declarying class of Probability Pointer *************************
pProb = new bioem_Probability[RefMap.ntotRefMap];
printf("\tInitializing\n");
......@@ -245,12 +247,12 @@ int bioem::run()
pProb[iRefMap].ConstAngle[iOrient]=-99999999;
}
}
/**************************************************************************************/
//**************************************************************************************
deviceStartRun();
/******************************** MAIN CYCLE ******************************************/
//******************************** MAIN CYCLE ******************************************
/*** Declaring Private variables for each thread *****/
//*** Declaring Private variables for each thread *****
mycomplex_t* proj_mapFFT;
bioem_map conv_map;
mycomplex_t* conv_mapFFT;
......@@ -266,25 +268,25 @@ int bioem::run()
printf("\tInner Loop Count (%d %d %d) %lld\n", param.param_device.maxDisplaceCenter, param.param_device.GridSpaceCenter, param.param_device.NumberPixels, (long long int) (param.param_device.NumberPixels * param.param_device.NumberPixels * (2 * param.param_device.maxDisplaceCenter / param.param_device.GridSpaceCenter + 1) * (2 * param.param_device.maxDisplaceCenter / param.param_device.GridSpaceCenter + 1)));
for (int iProjectionOut = 0; iProjectionOut < param.nTotGridAngles; iProjectionOut++)
{
/***************************************************************************************/
/***** Creating Projection for given orientation and transforming to Fourier space *****/
//***************************************************************************************
//***** Creating Projection for given orientation and transforming to Fourier space *****
timer.ResetStart();
createProjection(iProjectionOut, proj_mapFFT);
printf("Time Projection %d: %f\n", iProjectionOut, timer.GetCurrentElapsedTime());
/***************************************************************************************/
/***** **** Internal Loop over convolutions **** *****/
//***************************************************************************************
//***** **** Internal Loop over convolutions **** *****
for (int iConv = 0; iConv < param.nTotCTFs; iConv++)
{
printf("\t\tConvolution %d %d\n", iProjectionOut, iConv);
/*** Calculating convolutions of projection map and crosscorrelations ***/
//*** Calculating convolutions of projection map and crosscorrelations ***
timer.ResetStart();
createConvolutedProjectionMap(iProjectionOut, iConv, proj_mapFFT, conv_map, conv_mapFFT, sumCONV, sumsquareCONV);
printf("Time Convolution %d %d: %f\n", iProjectionOut, iConv, timer.GetCurrentElapsedTime());
/***************************************************************************************/
/*** Comparing each calculated convoluted map with all experimental maps ***/
//***************************************************************************************
//*** Comparing each calculated convoluted map with all experimental maps ***
timer.ResetStart();
compareRefMaps(iProjectionOut, iConv, conv_map, conv_mapFFT, sumCONV, sumsquareCONV);
......@@ -305,9 +307,9 @@ int bioem::run()
deviceFinishRun();
/************* Writing Out Probabilities ***************/
//************* Writing Out Probabilities ***************
/*** Angular Probability ***/
//*** Angular Probability ***
// if(param.writeAngles){
ofstream angProbfile;
......@@ -319,12 +321,12 @@ int bioem::run()
for (int iRefMap = 0; iRefMap < RefMap.ntotRefMap; iRefMap ++)
{
/**** Total Probability ***/
//**** Total Probability ***
outputProbFile << "RefMap " << iRefMap << " Probability " << log(pProb[iRefMap].Total)+pProb[iRefMap].Constoadd+0.5*log(M_PI)+(1-param.param_device.Ntotpi*0.5)*(log(2*M_PI)+1)+log(param.param_device.volu) << " Constant " << pProb[iRefMap].Constoadd << "\n";
outputProbFile << "RefMap " << iRefMap << " Maximizing Param: ";
/*** Param that maximize probability****/
//*** Param that maximize probability****
outputProbFile << (pProb[iRefMap].max_prob + 0.5 * log(M_PI) + (1 - param.param_device.Ntotpi * 0.5) * (log(2 * M_PI) + 1) + log(param.param_device.volu)) << " ";
outputProbFile << param.angles[pProb[iRefMap].max_prob_orient].pos[0] << " ";
outputProbFile << param.angles[pProb[iRefMap].max_prob_orient].pos[1] << " ";
......@@ -336,7 +338,7 @@ int bioem::run()
outputProbFile << pProb[iRefMap].max_prob_cent_y;
outputProbFile << "\n";
/*** For individual files***/ //angProbfile.open ("ANG_PROB_"iRefMap);
//*** For individual files*** //angProbfile.open ("ANG_PROB_"iRefMap);
if(param.writeAngles)
{
......@@ -375,7 +377,11 @@ int bioem::run()
int bioem::compareRefMaps(int iProjectionOut, int iConv, const bioem_map& conv_map, mycomplex_t* localmultFFT, myfloat_t sumC, myfloat_t sumsquareC, const int startMap)
{
if (FFTAlgo)
//***************************************************************************************
//***** BioEM routine for comparing reference maps to convoluted maps *****
if (FFTAlgo) //IF using the fft algorithm
{
#pragma omp parallel
{
......@@ -411,6 +417,10 @@ int bioem::compareRefMaps(int iProjectionOut, int iConv, const bioem_map& conv_m
inline void bioem::calculateCCFFT(int iRefMap, int iOrient, int iConv, myfloat_t sumC,myfloat_t sumsquareC, mycomplex_t* localConvFFT,mycomplex_t* localCCT,myfloat_t* lCC)
{
//***************************************************************************************
//***** Calculating cross correlation in FFTALGOrithm *****
const mycomplex_t* RefMapFFT = &RefMap.RefMapsFFT[iRefMap * param.RefMapSize];
for(int i = 0;i < param.param_device.NumberPixels * param.param_device.NumberFFTPixels1D;i++)
{
......@@ -425,10 +435,10 @@ inline void bioem::calculateCCFFT(int iRefMap, int iOrient, int iConv, myfloat_t
int bioem::createProjection(int iMap,mycomplex_t* mapFFT)
{
/**************************************************************************************/
/**** BioEM Create Projection routine in Euler angle predefined grid****************
********************* and turns projection into Fourier space **********************/
/**************************************************************************************/
//**************************************************************************************
//**** BioEM Create Projection routine in Euler angle predefined grid****************
//********************* and turns projection into Fourier space **********************
//**************************************************************************************
myfloat3_t RotatedPointsModel[Model.nPointsModel];
myfloat_t rotmat[3][3];
......@@ -442,9 +452,9 @@ int bioem::createProjection(int iMap,mycomplex_t* mapFFT)
beta=param.angles[iMap].pos[1];
gam=param.angles[iMap].pos[2];
/**** To see how things are going: cout << "Id " << omp_get_thread_num() << " Angs: " << alpha << " " << beta << " " << gam << "\n"; ***/
//**** To see how things are going: cout << "Id " << omp_get_thread_num() << " Angs: " << alpha << " " << beta << " " << gam << "\n"; ***
/********** Creat Rotation with pre-defiend grid of orientations**********/
//********** Creat Rotation with pre-defiend grid of orientations**********
rotmat[0][0]=cos(gam)*cos(alpha)-cos(beta)*sin(alpha)*sin(gam);
rotmat[0][1]=cos(gam)*sin(alpha)+cos(beta)*cos(alpha)*sin(gam);
......@@ -475,7 +485,7 @@ int bioem::createProjection(int iMap,mycomplex_t* mapFFT)
int i, j;
/************ Projection over the Z axis********************/
//************ Projection over the Z axis********************
for(int n=0; n< Model.nPointsModel; n++)
{
//Getting pixel that represents coordinates & shifting the start at to Numpix/2,Numpix/2 )
......@@ -485,7 +495,7 @@ int bioem::createProjection(int iMap,mycomplex_t* mapFFT)
localproj[i*param.param_device.NumberPixels+j]+=Model.densityPointsModel[n]/Model.NormDen;
}
/**** Output Just to check****/
//**** Output Just to check****
if(iMap==10)
{
ofstream myexamplemap;
......@@ -503,8 +513,8 @@ int bioem::createProjection(int iMap,mycomplex_t* mapFFT)
myexampleRot.close();
}
/***** Converting projection to Fourier Space for Convolution later with kernel****/
/********** Omp Critical is necessary with FFTW*******/
//***** Converting projection to Fourier Space for Convolution later with kernel****
//********** Omp Critical is necessary with FFTW*******
myfftw_execute_dft_r2c(param.fft_plan_r2c_forward,localproj,mapFFT);
return(0);
......@@ -512,18 +522,18 @@ int bioem::createProjection(int iMap,mycomplex_t* mapFFT)
int bioem::createConvolutedProjectionMap(int iMap,int iConv,mycomplex_t* lproj,bioem_map& Mapconv, mycomplex_t* localmultFFT, myfloat_t& sumC, myfloat_t& sumsquareC)
{
/**************************************************************************************/
/**** BioEM Create Convoluted Projection Map routine, multiplies in Fourier **********
**************** calculated Projection with convoluted precalculated Kernel**********
*************** and Backtransforming it to real Space ******************************/
/**************************************************************************************/
//**************************************************************************************
//**** BioEM Create Convoluted Projection Map routine, multiplies in Fourier **********
//**************** calculated Projection with convoluted precalculated Kernel**********
//*************** and Backtransforming it to real Space ******************************
//**************************************************************************************
myfloat_t* localconvFFT;
localconvFFT= (myfloat_t *) myfftw_malloc(sizeof(myfloat_t)*param.param_device.NumberPixels*param.param_device.NumberPixels);
mycomplex_t* tmp;
tmp = (mycomplex_t*) myfftw_malloc(sizeof(mycomplex_t) * param.param_device.NumberPixels * param.param_device.NumberFFTPixels1D);
/**** Multiplying FFTmap with corresponding kernel ****/
//**** Multiplying FFTmap with corresponding kernel ****
const mycomplex_t* refCTF = &param.refCTF[iConv * param.RefMapSize];
for(int i=0;i < param.param_device.NumberPixels * param.param_device.NumberFFTPixels1D;i++)
......@@ -536,10 +546,10 @@ int bioem::createConvolutedProjectionMap(int iMap,int iConv,mycomplex_t* lproj,b
//FFTW_C2R will destroy the input array, so we have to work on a copy here
memcpy(tmp, localmultFFT, sizeof(mycomplex_t) * param.param_device.NumberPixels * param.param_device.NumberFFTPixels1D);
/**** Bringing convoluted Map to real Space ****/
//**** Bringing convoluted Map to real Space ****
myfftw_execute_dft_c2r(param.fft_plan_c2r_backward,tmp,localconvFFT);
/****Asigning convolution fftw_complex to bioem_map ****/
//****Asigning convolution fftw_complex to bioem_map ****
for(int i=0; i < param.param_device.NumberPixels ; i++ )
{
for(int j=0; j < param.param_device.NumberPixels ; j++ )
......@@ -548,7 +558,7 @@ int bioem::createConvolutedProjectionMap(int iMap,int iConv,mycomplex_t* lproj,b
}
}
/*** Calculating Cross-correlations of cal-convoluted map with its self *****/
//*** Calculating Cross-correlations of cal-convoluted map with its self *****
sumC=0;
sumsquareC=0;
for(int i = 0; i < param.param_device.NumberPixels * param.param_device.NumberPixels; i++)
......@@ -556,14 +566,14 @@ int bioem::createConvolutedProjectionMap(int iMap,int iConv,mycomplex_t* lproj,b
sumC += localconvFFT[i];
sumsquareC += localconvFFT[i] * localconvFFT[i];
}
/*** The DTF gives an unnormalized value so have to divded by the total number of pixels in Fourier ***/
//*** The DTF gives an unnormalized value so have to divded by the total number of pixels in Fourier ***
// Normalizing
myfloat_t norm2 = (myfloat_t) (param.param_device.NumberPixels * param.param_device.NumberPixels);
myfloat_t norm4 = norm2 * norm2;
sumC = sumC / norm2;
sumsquareC = sumsquareC / norm4;
/**** Freeing fftw_complex created (dont know if omp critical is necessary) ****/
//**** Freeing fftw_complex created (dont know if omp critical is necessary) ****
myfftw_free(localconvFFT);
myfftw_free(tmp);
......@@ -572,7 +582,7 @@ int bioem::createConvolutedProjectionMap(int iMap,int iConv,mycomplex_t* lproj,b
int bioem::calcross_cor(bioem_map& localmap,myfloat_t& sum,myfloat_t& sumsquare)
{
/*********************** Routine to calculate Cross correlations***********************/
//*********************** Routine to calculate Cross correlations***********************
sum=0.0;
sumsquare=0.0;
......
main.cpp
View file @ 0392963f
......@@ -21,9 +21,9 @@
int main(int argc, char* argv[])
{
/**************************************************************************************/
/********************************* Main BioEM code **********************************/
/************************************************************************************/
//*************************************************************************************
//********************************* Main BioEM code **********************************
//*************************************************************************************
#pragma omp parallel
{
......@@ -43,17 +43,17 @@ int main(int argc, char* argv[])
bio = new bioem;
}
/************ Configuration and Pre-calculating necessary objects *****************/
//************ Configuration and Pre-calculating necessary objects *********************
printf("Configuring\n");
bio->configure(argc,argv);
/******************************* Run BioEM routine ******************************/
//******************************* Run BioEM routine ************************************
printf("Running\n");
timer.Start();
bio->run();
timer.Stop();
/************************************ End **********************************/
//************************************ End ***********************************************
printf ("The code ran for %f seconds.\n", timer.GetElapsedTime());
delete bio;
......
map.cpp
View file @ 0392963f
......@@ -13,9 +13,9 @@ using namespace std;
int bioem_RefMap::readRefMaps(bioem_param& param)
{
/**************************************************************************************/
/***********************Reading reference Particle Maps************************/
/**************************************************************************************/
//**************************************************************************************
//***********************Reading reference Particle Maps************************
//**************************************************************************************
if (loadMap)
{
FILE* fp = fopen("maps.dump", "rb");
......@@ -34,7 +34,7 @@ int bioem_RefMap::readRefMaps(bioem_param& param)
fclose(fp);
cout << "Particle Maps read from Map Dump \nTotal Number of particles: " << ntotRefMap ;
cout << "\n+++++++++++++++++++++++++++++++++++++++++ \n";
cout << "\n+++++++++++++++++++++++++++++++++++++++ \n";
}
else
{
......@@ -79,11 +79,13 @@ int bioem_RefMap::readRefMaps(bioem_param& param)
for(int i=3;i<100;i++)mapname[i] = {0};
}
cout << "\n+++++++++++++++++++++++++++++++++++++++++++ \n";
cout << "Particle Maps read from MULTIPLE MRC Files in: " << filemap << "\n" ;
} else {
read_MRC(filemap,param);
cout << "\n++++++++++++++++++++++++++++++++++++++++++ \n";
cout << "Particle Maps read from ONE MRC File: " << filemap << "\n" ;
}
......@@ -160,6 +162,7 @@ int bioem_RefMap::readRefMaps(bioem_param& param)
}
cout << ".";
ntotRefMap=nummap+1;
cout << "\n++++++++++++++++++++++++++++++++++++++++++ \n";
cout << "Particle Maps read from Standard File\n" ;
}
cout << "Total Number of particles: " << ntotRefMap ;
......@@ -184,9 +187,9 @@ int bioem_RefMap::readRefMaps(bioem_param& param)
int bioem_RefMap::PreCalculateMapsFFT(bioem_param& param)
{
/**************************************************************************************/
/********** Routine that pre-calculates Kernels for Convolution **********************/
/************************************************************************************/
//**************************************************************************************
//********** Routine that pre-calculates Kernels for Convolution ***********************
//**************************************************************************************
myfloat_t* localMap;
......@@ -249,7 +252,7 @@ int bioem_RefMap::read_MRC(const char* filename,bioem_param& param)
n_range_viol1 = test_mrc(filename,1);
if (n_range_viol0 < n_range_viol1) { /* guess endianism */
if (n_range_viol0 < n_range_viol1) { //* guess endianism
swap = 0;
if (n_range_viol0 > 0) {
printf(" Warning: %i header field range violations detected in file %s \n", n_range_viol0,filename);
......@@ -260,7 +263,7 @@ int bioem_RefMap::read_MRC(const char* filename,bioem_param& param)
printf("Warning: %i header field range violations detected in file %s \n", n_range_viol1,filename);
}
}
printf("++++++++++++++++++++++++++++++++++++++++++++++\n");
printf("\n+++++++++++++++++++++++++++++++++++++++++++\n");
printf("Reading Information from MRC: %s \n", filename);
header_ok *= read_int(&nc,fin,swap);
header_ok *= read_int(&nr,fin,swap);
......@@ -291,8 +294,8 @@ int bioem_RefMap::read_MRC(const char* filename,bioem_param& param)
printf("Number Columns = %8d \n",nc);
printf("Number Rows = %8d \n",nr);
printf("Number Sections = %8d \n",ns);
printf("MODE = %8d (only data type mode 2: 32-bit)\n",mode);
printf("NSYMBT = %8d (# bytes symmetry operators)\n",nsymbt);
printf("MODE = %4d (only data type mode 2: 32-bit)\n",mode);
printf("NSYMBT = %4d (# bytes symmetry operators)\n",nsymbt);
/* printf(" NCSTART = %8d (index of first column, counting from 0)\n",ncstart);
printf("> NRSTART = %8d (index of first row, counting from 0)\n",nrstart);
......@@ -444,7 +447,7 @@ int bioem_RefMap::test_mrc (const char *vol_file, int swap) {
exit(1);
}
/* read header info */
//* read header info
header_ok *= read_int(&nc,fin,swap);
header_ok *= read_int(&nr,fin,swap);
header_ok *= read_int(&ns,fin,swap);
......
model.cpp
View file @ 0392963f
......@@ -11,9 +11,9 @@ using namespace std;
int bioem_model::readModel()
{
/**************************************************************************************/
/***************Reading reference Models either PDB or x,y,z,r,d format****************/
/**************************************************************************************/
//**************************************************************************************
//***************Reading reference Models either PDB or x,y,z,r,d format****************
//**************************************************************************************
ofstream exampleReadCoor;
exampleReadCoor.open ("COORDREAD");
......@@ -110,7 +110,7 @@ int bioem_model::readModel()
}
nPointsModel=numres;
cout << "Protein structure read from PDB\nTotal Number of Residues " << nPointsModel;
cout << "\n+++++++++++++++++++++++++++++++++++++++++ \n";
}
else //Reading model from FILE FORMAT x,y,z,rad,density
{
......@@ -140,8 +140,8 @@ int bioem_model::readModel()
numres++;
}
nPointsModel=numres;
cout << "Protein structure read from Standard File \nTotal Number of Residues " << nPointsModel ;
cout << "\n+++++++++++++++++++++++++++++++++++++++++ \n";
cout << "Protein structure read from Standard File \nTotal Number of Voxels " << nPointsModel ;
}
}
exampleReadCoor.close();
......@@ -173,7 +173,7 @@ int bioem_model::readModel()
myfloat_t bioem_model::getAminoAcidRad(char *name)
{
/*************** Function that gets the radius for each amino acid ****************/
//************** Function that gets the radius for each amino acid ****************
myfloat_t iaa=0;
if(std::strcmp(name,"CYS")==0)iaa=2.75;
......@@ -208,7 +208,7 @@ myfloat_t bioem_model::getAminoAcidRad(char *name)
myfloat_t bioem_model::getAminoAcidDensity(char *name)
{
/*************** Function that gets the number of electrons for each amino acid ****************/
//************** Function that gets the number of electrons for each amino acid ****************
myfloat_t iaa=0.0;
if(std::strcmp(name,"CYS")==0)iaa=64.0;
......
param.cpp
View file @ 0392963f
......@@ -25,7 +25,7 @@ bioem_param::bioem_param()
numberGridPointsCTF_amp = 0;
numberGridPointsCTF_phase = 0;
/****center displacement paramters Equal in both directions***/
//****center displacement paramters Equal in both directions***
param_device.maxDisplaceCenter = 0;
numberGridPointsDisplaceCenter = 0;
......@@ -41,6 +41,25 @@ int bioem_param::readParameters()
//***************************** Reading Input Parameters ******************************
//**************************************************************************************
// Control for Parameters
bool yesPixSi = false;
bool yesNumPix = false;
bool yesGPal = false;
bool yesGPbe = false;
bool yesGPEnv = false;
bool yesGPamp = false;
bool yesGPpha = false;
bool yesSTEnv = false;
bool yesSTamp = false;
bool yesSTpha = false;
bool yesGSPamp = false ;
bool yesGSPEnv = false ;
bool yesGSPpha = false ;
bool yesMDC = false ;
bool yesGCen = false ;
ifstream input(fileinput);
if (!input.good())
{
......@@ -51,10 +70,10 @@ int bioem_param::readParameters()
char line[512] = {0};
char saveline[512];
cout << "\n +++++++++++++++++++++++++++++++++++++++++ \n";
cout << "\n READING PARAMETERS \n\n";
cout << "\n+++++++++++++++++++++++++++++++++++++++++++ \n";
cout << "\n READING PARAMETERS \n\n";
cout << " +++++++++++++++++++++++++++++++++++++++++ \n";
cout << "+++++++++++++++++++++++++++++++++++++++++++ \n";
while (!input.eof())
{
input.getline(line,512);
......@@ -69,105 +88,125 @@ int bioem_param::readParameters()
{
token = strtok(NULL," ");
pixelSize=atof(token);
if (pixelSize < 0 ) { cout << "*** Error: Negative pixelSize "; exit(1);}
cout << "Pixel Sixe " << pixelSize << "\n";
yesPixSi= true;
}
else if (strcmp(token,"NUMBER_PIXELS")==0)
{
token = strtok(NULL," ");
param_device.NumberPixels=int(atoi(token));
cout << "Number of Pixels " << param_device.NumberPixels << "\n";
if (param_device.NumberPixels < 0 ) { cout << "*** Error: Negative Number of Pixels "; exit(1);}
cout << "Number of Pixels " << param_device.NumberPixels << "\n";
yesNumPix= true ;
}
else if (strcmp(token,"GRIDPOINTS_ALPHA")==0)
{
token = strtok(NULL," ");
angleGridPointsAlpha=int(atoi(token));
if (angleGridPointsAlpha < 0 ) { cout << "*** Error: Negative GRIDPOINTS_ALPHA "; exit(1);}
cout << "Grid points alpha " << angleGridPointsAlpha << "\n";
yesGPal= true;
}
else if (strcmp(token,"GRIDPOINTS_BETA")==0)
{
token = strtok(NULL," ");
angleGridPointsBeta=int(atoi(token));
angleGridPointsBeta=int(atoi(token));
if (angleGridPointsBeta < 0 ) { cout << "*** Error: Negative GRIDPOINTS_BETA "; exit(1);}
cout << "Grid points beta " << angleGridPointsBeta << "\n";
yesGPbe= true;
}
else if (strcmp(token,"GRIDPOINTS_ENVELOPE")==0)
{
token = strtok(NULL," ");
numberGridPointsEnvelop=int(atoi(token));
if (numberGridPointsDisplaceCenter < 0 ) { cout << "*** Error: Negative GRIDPOINTS_ENVELOPE "; exit(1);}
cout << "Grid points envelope " << numberGridPointsEnvelop << "\n";
yesGPEnv = true;
}
else if (strcmp(token,"START_ENVELOPE")==0)
{
token = strtok(NULL," ");
startGridEnvelop=atof(token);
if (startGridEnvelop < 0 ) { cout << "*** Error: Negative START_ENVELOPE "; exit(1);}
cout << "Start Envelope " << startGridEnvelop << "\n";
yesSTEnv = true ;