View source for TIMD extraction.py

 import math, sys
 import os.path
 
 #to use the script, choose the right fn number and the right filename prefix
 #################################################################################################################
 ## loops over "fn" of output files .
 ## fn = file number 
 def read_TIMD_out(fileprefix,fn):
 
     ### get average and rms values of DV/DL, TEMP, PRESS, Density parameters
 
     average_temp=[];average_pres=[];average_dvdl=[];average_dens=[];rms_temp=[];rms_pres=[];rms_dvdl=[];rms_dens=[];
     for i in range(1, fn+1):
         file = fileprefix + str(i) +".out";
         file1 = open(file, 'r');
 
     ##flag for Average and RMS values
         flag_average = 0;
         flag_rms     = 0;
 
         lines  =  file1.readlines();
         num_lines = len(lines);
 
         for line in lines:
             linesplit = line.split() #split on white space
             if (len(linesplit) > 2):
                 if (linesplit[0] == "A" and linesplit[1] == "V"):
                     flag_average = 1;
                     flag_rms     = 0;
 
                 if (linesplit[0] == "R" and linesplit[1] == "M"):
                     flag_average = 0;
                     flag_rms     = 1;
 
                 if (flag_average == 1 and linesplit[0] == "DV/DL"):
                     average_dvdl.append( float(linesplit[2]) );
 
                 if (flag_average == 1 and linesplit[0] == "Density"):
                     average_dens.append( float(linesplit[2]) );
 
                 if (flag_rms == 1 and linesplit[0] == "DV/DL"):
                     rms_dvdl.append( float(linesplit[2]) );
 
                 if (flag_rms == 1 and linesplit[0] == "Density"):
                     rms_dens.append( float(linesplit[2]) );
                     flag_rms = 0; ###reading is finished, remove the possibility of other readings
 
             if (len(linesplit) > 6):
                 if (flag_average == 1 and linesplit[6] == "TEMP(K)"):
                     average_temp.append( float(linesplit[8]) );
                     average_pres.append( float(linesplit[11]));
 
                 if (flag_rms == 1 and linesplit[6] == "TEMP(K)"):
                     rms_temp.append( float(linesplit[8]) );
                     rms_pres.append( float(linesplit[11]));
 
         file1.close();
     return average_temp,average_pres,average_dvdl,average_dens,rms_temp,rms_pres,rms_dvdl,rms_dens;
 #################################################################################################################
 def write_TIMD_report(ksteps,average_temp,average_pres,average_dvdl,average_dens,rms_temp,rms_pres,rms_dvdl,rms_dens,file):
 
     fn = len(average_temp);
     file.write("Lambda  DVDL   rms   ksteps TEMP  rms    PRESS  rms   Density rms"+"\n");
     for i in range(1,fn+1):
         file.write( "%5.3f%9.3f%6.3f%4d%9.2f%5.2f%6.1f%9.1f%7.4f%8.4f" %(i/10.0,average_dvdl[i-1],rms_dvdl[i-1],ksteps,average_temp[i-1],rms_temp[i-1],average_pres[i-1],rms_pres[i-1],average_dens[i-1],rms_dens[i-1]) );
         file.write( "\n" );
     return;
 #################################################################################################################
 def main():
     
     fileprefix="bnz_prod_v0_l";
     num=9;##number of files to be read
     ksteps=100;
 
     average_temp,average_pres,average_dvdl,average_dens,rms_temp,rms_pres,rms_dvdl,rms_dens = read_TIMD_out( fileprefix, num );
 
     file_report = "report." + fileprefix;
     file = open( file_report, 'write' );
     write_TIMD_report(ksteps,average_temp,average_pres,average_dvdl,average_dens,rms_temp,rms_pres,rms_dvdl,rms_dens,file); 
     file.close()
 #################################################################################################################
 #################################################################################################################
 main()