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https://github.com/LCPQ/EMSL_Basis_Set_Exchange_Local
synced 2024-08-25 05:51:44 +02:00
Static method from list_format
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@ -141,8 +141,7 @@ if __name__ == '__main__':
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# | |___| \__ \ |_ | || (_) | | | | | | | | (_| | |_\__ \
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# \_____/_|___/\__| |_| \___/|_| |_| |_| |_|\__,_|\__|___/
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elif arguments["list_formats"]:
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e = EMSL_dump()
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for i in e.get_list_format():
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for i in EMSL_dump.get_list_format():
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print i
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# _____ _ _ _
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@ -63,7 +63,8 @@ class EMSL_dump:
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finally:
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self.requests = requests
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def get_list_format(self):
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@staticmethod
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def get_list_format():
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"""List all the format available in EMSL"""
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from src.parser_handler import parser_dict
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return parser_dict.keys()
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@ -135,6 +136,7 @@ class EMSL_dump:
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name = tup[1]
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elts = re.sub('[["\ \]]', '', tup[3]).split(',')
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des = re.sub('\s+', ' ', tup[-1])
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d[name] = [name, xml_path, des, elts]
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@ -148,7 +150,7 @@ class EMSL_dump:
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# | \__/\ | | __/ (_| | || __/
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# \____/_| \___|\__,_|\__\___|
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#
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def create_sql(self, dict_basis_list):
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def create_and_populate_sql(self, dict_basis_list):
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"""Create the sql from strach.
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Take the list of basis available data,
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download her, put her in sql"""
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@ -216,7 +218,8 @@ class EMSL_dump:
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url = "https://bse.pnl.gov:443/bse/portal/user/anon/js_peid/11535052407933/action/portlets.BasisSetAction/template/courier_content/panel/Main/"
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url += "/eventSubmit_doDownload/true"
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params = {'bsurl': path_xml, 'bsname': name,
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params = {'bsurl': path_xml,
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'bsname': name,
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'elts': " ".join(elts),
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'format': self.format,
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'minimize': self.contraction}
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@ -289,4 +292,4 @@ class EMSL_dump:
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_data = self.dwl_basis_list_raw()
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array_basis = self.basis_list_raw_to_array(_data)
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self.create_sql(array_basis)
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self.create_and_populate_sql(array_basis)
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