updated to take inputs from poni file

update-geom-from-lab6.py

@@ -1,9 +1,10 @@
 #!/usr/bin/python
 
 import pandas as pd
+import numpy as np
 import regex as re
+from scipy import constants
 import argparse
-import os, sys
 from datetime import datetime
 date = datetime.today().strftime('%y%m%d')
 
@@ -25,6 +26,35 @@ def calculate_new_corner_positions( beam_x, beam_y ):
 
     return corner_df
 
+def scrub_poni( path_to_poni_file ):
+
+    # open poni file
+    poni_file = open( path_to_poni_file, "r" ).read()
+
+    # regex patterns to scrub poni data
+    clen_m_pattern = r"Distance:\s(\d\.\d*)"
+    poni1_m_pattern = r"Poni1:\s(\d\.\d*)"
+    poni2_m_pattern = r"Poni2:\s(\d\.\d*)"
+    wave_pattern = r"Wavelength:\s(\d\.\d*)e(-\d+)"
+
+    # regex seach
+    clen = re.search( clen_m_pattern, poni_file ).group( 1 )
+    poni1_m = re.search( poni1_m_pattern, poni_file ).group( 1 )
+    poni2_m = re.search( poni2_m_pattern, poni_file ).group( 1 )
+    wave = re.search( wave_pattern, poni_file ).group( 1, 2 )
+
+    # calulate proper wavelength
+    wave = float(wave[0]) * np.float_power( 10, int( wave[1]) )
+
+    # calculate beam_centre
+    poni1_p = float( poni1_m ) / 0.000000075
+    poni2_p = float( poni2_m ) / 0.000000075
+
+    # calculate beam energy in eV
+    eV = ( ( constants.c * constants.h ) / wave ) / constants.electron_volt
+
+    # return poni1 = y, poni2 = x and energy
+    return poni1_p, poni2_p, eV, round( float( clen )*1000, 5 )
 
 
 def write_new_positions( path_to_geom, beam_x, beam_y, clen, energy ):
@@ -70,11 +100,14 @@ def write_new_positions( path_to_geom, beam_x, beam_y, clen, energy ):
     f.write( current_geom_file )
     f.close()
 
+    # return new_geom_name
+    return new_geom_name
+
 
 if __name__ == "__main__":
     parser = argparse.ArgumentParser()
     parser.add_argument(
-        "-p",
+        "-g",
         "--path_to_geom",
         help="give the path to the cristallina 8M geom file to be updated",
         type=str,
@@ -108,6 +141,24 @@ if __name__ == "__main__":
         type=int,
         default=12400
     )
+    parser.add_argument(
+        "-p",
+        "--poni",
+        help="path to poni file",
+        type=str,
+    )
     args = parser.parse_args()
     # run geom converter
-    write_new_positions( args.path_to_geom, args.beam_x, args.beam_y, args.clen, args.energy )
+
+    # import pdb;pdb.set_trace()
+    if args.poni is not None:
+        print( "reading poni file" )
+        beam_y, beam_x, eV, clen = scrub_poni( args.poni )
+        print( "beam x, beam_y = {0}, {1}\nphoton_energy = {2}\nclen = {3}".format( beam_x, beam_y, eV, clen ) )
+        new_geom_name = write_new_positions( args.path_to_geom, beam_x, beam_y, clen, eV )
+        print( "updated .geom file with poni calculations\n new .geom = {0}".format( new_geom_name ) )
+    else:
+        print( "manually input positions" )
+        print( "beam x, beam_y = {0}, {1}\nphoton_energy = {2}\nclen = {3}".format( args.beam_x, args.beam_y, args.energy, args.clen ) )
+        new_geom_name = write_new_positions( args.path_to_geom, args.beam_x, args.beam_y, args.clen, args.energy )
+        print( "updated .geom file with poni calculations\nnew .geom = {0}".format( new_geom_name ) )