if arguments["list_geometries"]:
if arguments["--ele"]:
str_ = cond_sql_or("id_tab.name", arguments["--ele"])
str_ = "AND".join(str_)
else:
str_ = '(1)'
print ", ".join(list_geo(str_))
elif arguments["list_elements"]:
str_ = cond_sql_or("geo_tab.name", arguments["--geo"])
str_ = "AND".join(str_)
l = [x for x in list_ele(str_) if "-" not in x and "+" not in x]
print ", ".join(l)
elif arguments["get_g09"] or arguments["get_xyz"]:
from collections import namedtuple
get_general = namedtuple('get_general', ['get', 'ext'])
if arguments['get_g09']:
g = get_general(get=get_g09, ext='.com')
elif arguments['get_xyz']:
g = get_general(get=get_xyz, ext='.xyz')
l_geo = arguments["--geo"]
if arguments["list_geometries"]:
if arguments["--ele"]:
str_ = cond_sql_or("id_tab.name", arguments["--ele"])
str_ = "AND".join(str_)
else:
str_ = '(1)'
print ", ".join(list_geo(str_))
elif arguments["list_elements"]:
str_ = cond_sql_or("geo_tab.name", arguments["--geo"])
str_ = "AND".join(str_)
l = [x for x in list_ele(str_) if "-" not in x and "+" not in x]
print ", ".join(l)
elif arguments["get_g09"] or arguments["get_xyz"]:
from collections import namedtuple
get_general = namedtuple('get_general', ['get', 'ext'])
if arguments['get_g09']:
g = get_general(get=get_g09, ext='.com')
elif arguments['get_xyz']:
g = get_general(get=get_xyz, ext='.xyz')
l_geo = arguments["--geo"]
where = "AND".join(cond)
else:
where = '(1)'
r = list_geo(where_cond=where)
assert r, "No geometries for {0} elements".format(arguments["--ele"])
print ", ".join(r)
elif arguments["list_elements"]:
if arguments['--geo']:
cond = cond_sql_or("geo_tab.name", arguments["--geo"])
where = "AND".join(str_)
r = list_ele(where_cond=where)
assert r, "No element for {0} geometries".format(
arguments["--geo"])
print ", ".join(r)
elif arguments['--run']:
from src.calc import BigData
q = BigData(d_arguments=arguments)
print ", ".join(q.l_element)
elif arguments["get_multiplicity"]:
l_ele = arguments["--ele"]
l = [str(get_multiplicity(ele)) for ele in l_ele]
print " ".join(l)
where = "AND".join(cond)
else:
where = '(1)'
r = list_geo(where_cond=where)
assert r, "No geometries for {0} elements".format(arguments["--ele"])
print ", ".join(r)
elif arguments["list_elements"]:
if arguments['--geo']:
cond = cond_sql_or("geo_tab.name", arguments["--geo"])
where = "AND".join(str_)
r = list_ele(where_cond=where)
assert r, "No element for {0} geometries".format(arguments["--geo"])
print ", ".join(r)
elif arguments['--run']:
from src.calc import BigData
q = BigData(d_arguments=arguments)
print ", ".join(q.l_element)
elif arguments["get_multiplicity"]:
l_ele = arguments["--ele"]
l = [str(get_multiplicity(ele)) for ele in l_ele]
print " ".join(l)
