updated so fine scan takes input of coarse scan and you don't need to close the eog window in the middle of the run
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@@ -394,10 +394,9 @@ def scrub_scan( scan_top_dir, scan ):
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min_alpha_clen, min_beta_clen, min_gamma_clen, min_c_clen, min_alpha_val, min_beta_val, min_gamma_val, min_c_val = find_clen_values(stats_df)
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min_alpha_clen, min_beta_clen, min_gamma_clen, min_c_clen, min_alpha_val, min_beta_val, min_gamma_val, min_c_val = find_clen_values(stats_df)
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# print suggested clen
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# print suggested clen
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if scan == "fine":
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suggested_clen = (min_alpha_clen + min_beta_clen + min_gamma_clen )/3
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suggested_clen = (min_alpha_clen + min_beta_clen + min_gamma_clen )/3
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suggested_clen = round(suggested_clen, 4)
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suggested_clen = round(suggested_clen, 4)
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print ("The suggested clen = {0}".format(suggested_clen))
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print ("The suggested clen = {0}".format(suggested_clen))
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# plot results
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# plot results
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fig, (ax1, ax3) = plt.subplots(1, 2)
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fig, (ax1, ax3) = plt.subplots(1, 2)
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@@ -409,7 +408,8 @@ def scrub_scan( scan_top_dir, scan ):
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fig.tight_layout()
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fig.tight_layout()
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plt.savefig("{0}.png".format(scan))
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plt.savefig("{0}.png".format(scan))
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plt.show()
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return suggested_clen
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def main( cwd, lst, sample, geom, centre_clen, cell_file ):
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def main( cwd, lst, sample, geom, centre_clen, cell_file ):
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@@ -417,13 +417,14 @@ def main( cwd, lst, sample, geom, centre_clen, cell_file ):
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scan( cwd, lst, sample, geom, centre_clen, cell_file, step_size="coarse" )
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scan( cwd, lst, sample, geom, centre_clen, cell_file, step_size="coarse" )
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scrub_scan( top_dir_coarse, scan="coarse" )
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suggested_clen = scrub_scan( top_dir_coarse, scan="coarse" )
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top_dir_fine = "{0}/fine".format( cwd )
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top_dir_fine = "{0}/fine".format( cwd )
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scan( cwd, lst, sample, geom, centre_clen, cell_file, step_size="fine" )
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scan( cwd, lst, sample, geom, suggested_clen, cell_file, step_size="fine" )
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scrub_scan( top_dir_fine, scan="fine" )
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scrub_scan( top_dir_fine, scan="fine" )
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plt.show()
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if __name__ == "__main__":
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if __name__ == "__main__":
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parser = argparse.ArgumentParser()
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parser = argparse.ArgumentParser()
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