diff --git a/EMSL_api.py b/EMSL_api.py index 372d5ff..d14f471 100755 --- a/EMSL_api.py +++ b/EMSL_api.py @@ -58,7 +58,8 @@ if __name__ == '__main__': if arguments["--db_path"]: db_path = arguments["--db_path"] 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 try: diff --git a/db/Pseudo.db b/db/Pseudo.db index a4a7829..8bfd12b 100644 Binary files a/db/Pseudo.db and b/db/Pseudo.db differ diff --git a/src/EMSL_dump.py b/src/EMSL_dump.py index 94f9604..ade4f65 100644 --- a/src/EMSL_dump.py +++ b/src/EMSL_dump.py @@ -76,8 +76,9 @@ class EMSL_dump: return parser_dict.keys() def dwl_basis_list_raw(self): - """Return the source code of the iframe - who contains the list of the basis set available""" + """Return the source code of the iframe who contains the list of the + basis set available + """ print "Download all the name available in EMSL." print "It can take some time.", diff --git a/src/EMSL_local.py b/src/EMSL_local.py index 032029e..d9ed609 100644 --- a/src/EMSL_local.py +++ b/src/EMSL_local.py @@ -64,7 +64,7 @@ def checkSQLite3(db_path): def cond_sql_or(table_name, l_value, glob=False): """Take a table_name, a list of value and create the sql 'or' commande - for example : (elt = "Na" OR elt = "Mg"')""" + for example : (elt = "Na" OR elt = "Mg")""" opr = "GLOB" if glob else "=" diff --git a/src/parser_handler.py b/src/parser_handler.py index b1008a6..82ba6ed 100644 --- a/src/parser_handler.py +++ b/src/parser_handler.py @@ -4,7 +4,7 @@ import os def get_dict_ele(): """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: data = f.readlines()