LCPQ/EMSL_Basis_Set_Exchange_Local
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Finish python 2.6 support

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This commit is contained in:
Thomas Applencourt 2015-03-26 19:36:52 +01:00
parent f1ca1c2dfb
commit 08220ea2f5
3 changed files with 7 additions and 8 deletions
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4
EMSL_api.py
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@ -84,11 +84,11 @@ if __name__ == '__main__':
if arguments["--average_mo_number"]: if arguments["--average_mo_number"]:
for name, des, avg in l: for name, des, avg in l:
des_str = "{:<50}".format(des) des_str = "{0:<50}".format(des)
print "- '{0}' ({1}) || {2}".format(name, avg, des_str) print "- '{0}' ({1}) || {2}".format(name, avg, des_str)
else: else:
for name, des in l: for name, des in l:
des_str = "{:<50}".format(des) des_str = "{0:<50}".format(des)
print "- '{0}' || {1}".format(name, des_str) print "- '{0}' || {1}".format(name, des_str)
# _ _ _ _____ _ _ # _ _ _ _____ _ _

2
src/EMSL_dump.py
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@ -261,7 +261,7 @@ class EMSL_dump:
name, des, basis_data = q_out.get() name, des, basis_data = q_out.get()
q_out.task_done() q_out.task_done()
str_indice = '{:>3}'.format(i + 1) str_indice = '{0:>3}'.format(i + 1)
str_ = '{0} / {1} | {2}'.format(str_indice, nb_basis, name) str_ = '{0} / {1} | {2}'.format(str_indice, nb_basis, name)
# ~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~ # # ~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~ #

9
src/EMSL_local.py
View File

@ -68,7 +68,7 @@ def cond_sql_or(table_name, l_value, glob=False):
opr = "GLOB" if glob else "=" opr = "GLOB" if glob else "="
l_cmd = ['{} {} "{}"'.format(table_name, opr, val) for val in l_value] l_cmd = ['{0} {1} "{2}"'.format(table_name, opr, val) for val in l_value]
return "({0})".format(" OR ".join(l_cmd)) return "({0})".format(" OR ".join(l_cmd))
@ -172,9 +172,8 @@ class EMSL_local(object):
if average_mo_number: if average_mo_number:
column_to_fech += ", data" column_to_fech += ", data"
filter_where = " ({}) AND ({})".format( filter_where = " ({0}) AND ({1})".format(cmd_filter_ele,
cmd_filter_ele, cmd_filter_basis)
cmd_filter_basis)
cmd = """SELECT DISTINCT {0} cmd = """SELECT DISTINCT {0}
FROM output_tab FROM output_tab
@ -192,7 +191,7 @@ class EMSL_local(object):
# ~#~#~#~#~#~#~ # # ~#~#~#~#~#~#~ #
# If average_mo_number is asking # If average_mo_number is asking
from collections import OrderedDict from misc.collections import OrderedDict
dict_info = OrderedDict() dict_info = OrderedDict()
# Description : dict_info[name] = [description, nb_mo, nb_ele] # Description : dict_info[name] = [description, nb_mo, nb_ele]