LCPQ/EMSL_Basis_Set_Exchange_Local
10
0
Fork 0
mirror of https://github.com/LCPQ/EMSL_Basis_Set_Exchange_Local synced 2024-12-22 04:13:43 +01:00
Code Issues Releases Wiki Activity

Static method from list_format

Browse Source
This commit is contained in:
Thomas Applencourt 2015-03-23 15:12:23 +01:00
parent 9a70c61df8
commit db5695b4bf
2 changed files with 8 additions and 6 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

3
EMSL_api.py
View File

@ -141,8 +141,7 @@ if __name__ == '__main__':
# | |___| \__ \ |_ | || (_) | | | | | | | | (_| | |_\__ \
# \_____/_|___/\__| |_| \___/|_| |_| |_| |_|\__,_|\__|___/
elif arguments["list_formats"]:
e = EMSL_dump()
for i in e.get_list_format():
for i in EMSL_dump.get_list_format():
print i
# _____ _ _ _

11
src/EMSL_dump.py
View File

@ -63,7 +63,8 @@ class EMSL_dump:
finally:
self.requests = requests
def get_list_format(self):
@staticmethod
def get_list_format():
"""List all the format available in EMSL"""
from src.parser_handler import parser_dict
return parser_dict.keys()
@ -135,6 +136,7 @@ class EMSL_dump:
name = tup[1]
elts = re.sub('[["\ \]]', '', tup[3]).split(',')
des = re.sub('\s+', ' ', tup[-1])
d[name] = [name, xml_path, des, elts]
@ -148,7 +150,7 @@ class EMSL_dump:
# | \__/\ | | __/ (_| | || __/
# \____/_| \___|\__,_|\__\___|
#
def create_sql(self, dict_basis_list):
def create_and_populate_sql(self, dict_basis_list):
"""Create the sql from strach.
Take the list of basis available data,
download her, put her in sql"""
@ -216,7 +218,8 @@ class EMSL_dump:
url = "https://bse.pnl.gov:443/bse/portal/user/anon/js_peid/11535052407933/action/portlets.BasisSetAction/template/courier_content/panel/Main/"
url += "/eventSubmit_doDownload/true"
params = {'bsurl': path_xml, 'bsname': name,
params = {'bsurl': path_xml,
'bsname': name,
'elts': " ".join(elts),
'format': self.format,
'minimize': self.contraction}
@ -289,4 +292,4 @@ class EMSL_dump:
_data = self.dwl_basis_list_raw()
array_basis = self.basis_list_raw_to_array(_data)
self.create_sql(array_basis)
self.create_and_populate_sql(array_basis)