#peak_list[73] = ('7.655','7.653')
name_file = path_local + "/database/bmse000408.str"
c = Metabolite(name_file)
shift = c.initial_shift(name_file)
c = Metabolite(name_file, shift)
c.tocsy_pattern = c.tocsy()
dict_assignment = assignment(c, peak_list)
for key in dict_assignment.keys() :
print key, dict_assignment[key]
print '_'*10
list_show_ranking = ranking(c,peak_list,dict_assignment)
sum_ranking, best_pattern = best_pattern_generation(list_show_ranking)
print sum_ranking
print c.tocsy_pattern
for item in list_show_ranking :
print item
c, dict_assignment, final_hausdorff,fraction_hausdorff,sum_ranking,best_pattern = iterative_matching(c, peak_list)
print sum_ranking
print c.tocsy_pattern
#print '_'*10
#for key in dict_assignment.keys():
# print key, dict_assignment[key]
print '_'*10
#list_show_ranking = ranking(c, peak_list, dict_assignment)
#for item in list_show_ranking :
# print item, '*'
local_flow(c,peak_list,best_pattern)
print '_'*10
for key_tocsy in c.tocsy_pattern.keys():
print key_tocsy, c.tocsy_pattern[key_tocsy]
if nb_peaks_fin >= 0.7 * len(tocsy_initial):
print metabolite.name, nb_peaks_fin, "over ", len(tocsy_initial)
# print 'probability accepted : %.4f'%probability_threshold(hausdorff_distance)
for item_showing in list_showing:
print item_showing[0], item_showing[1], ": ", item_showing[2], item_showing[3], item_showing[4]
else:
pass
return None
##############################
### TEST of the module
if __name__ == "__main__":
path_local = str(os.getcwd())
peak_list, volume_list = spectrum(path_local + "/Exp_peak_list/43-sn10.peaks")
name_file = path_local + "/database/bmse000408.str"
c = Metabolite(name_file)
shift = c.initial_shift(name_file)
c = Metabolite(name_file, shift)
c.tocsy_pattern = c.tocsy()
dict_assignment = assignment(c, peak_list)
for key in dict_assignment:
print key, dict_assignment[key]
c, dict_assignment, final_hausdorff, fraction_hausdorff = iterative_matching(c, peak_list)
print final_hausdorff, fraction_hausdorff
# print peaks_found(dict_assignment)
showAssignment(c, dict_assignment, peak_list, final_hausdorff, fraction_hausdorff)
print peak_list[73]
