LCPQ/EMSL_Basis_Set_Exchange_Local
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Add os.path.join when needed thx to @berguis

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This commit is contained in:
Thomas Applencourt 2015-04-29 17:43:56 +02:00
parent c9cc04340a
commit 2027cabe98
3 changed files with 6 additions and 4 deletions
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3
EMSL_api.py
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@ -58,7 +58,8 @@ if __name__ == '__main__':
if arguments["--db_path"]: if arguments["--db_path"]:
db_path = arguments["--db_path"] db_path = arguments["--db_path"]
else: else:
db_path = os.path.dirname(__file__) + "/db/GAMESS-US.db" db_path = os.path.join(os.path.dirname(os.path.realpath(__file__)),
"db/GAMESS-US.db")
# Check the db # Check the db
try: try:

5
src/EMSL_dump.py
View File

@ -76,8 +76,9 @@ class EMSL_dump:
return parser_dict.keys() return parser_dict.keys()
def dwl_basis_list_raw(self): def dwl_basis_list_raw(self):
"""Return the source code of the iframe """Return the source code of the iframe who contains the list of the
who contains the list of the basis set available""" basis set available
"""
print "Download all the name available in EMSL." print "Download all the name available in EMSL."
print "It can take some time.", print "It can take some time.",

2
src/parser_handler.py
View File

@ -4,7 +4,7 @@ import os
def get_dict_ele(): def get_dict_ele():
"""Return dict[atom]=[abreviation]""" """Return dict[atom]=[abreviation]"""
elt_path = os.path.dirname(sys.argv[0]) + "/src/misc/elts_abrev.dat" elt_path = os.path.join(os.path.dirname(sys.argv[0]), "/src/misc/elts_abrev.dat")
with open(elt_path, "r") as f: with open(elt_path, "r") as f:
data = f.readlines() data = f.readlines()