def dAngleType (count, directory_in):
listClasse = structure.classificationATOM("", out_list = 1)
for type_substruct in count.keys() :
for distance in count[type_substruct].keys() :
pr_angle_type = pathManage.resultAngle(directory_in, type_substruct)
filout = open(pr_angle_type + "angle_" + type_substruct + "_" + distance, "w")
### HEADER ###
filout.write (str(listClasse[0]))
for classe in listClasse[1:] :
filout.write ("\t" + classe)
filout.write("\n")
##############
for angleSubs in count[type_substruct][distance].keys() :
filout.write(str(angleSubs))
for classe in listClasse :
try : filout.write("\t" + str(count[type_substruct][distance][angleSubs][classe]))
except : filout.write("\t0")
filout.write("\n")
filout.close()
def resultAngle(d_count, pr_out):
l_p_file = []
for subs in d_count.keys():
pr_final = pathManage.resultAngle(pr_out, subs)
p_filout = pr_final + "angle_" + str(subs)
l_p_file.append (p_filout)
filout = open(p_filout, "w")
for type_atom in d_count[subs].keys():
nb_dist = len(d_count[subs][type_atom]["distance"])
for i in range(0, nb_dist) :
dist = d_count[subs][type_atom]["distance"][i]
#filout.write("%.2f" % dist)
for angle in d_count[subs][type_atom]["angles"][i] :
if angle == "NA" :
continue
else :
angle = "%.2f" % angle
filout.write (str (dist) + "\t" + str (angle) + "\t" + str (type_atom) + "\n")
filout.close()
return l_p_file
