def test_opt_template(self):
opt_params = OrderedDict({
"CONSTRAINT": ["tors 2 3 4 5 25.0", "bend 2 1 4 110.0"],
"FIXED": ["x y 2 4 5"],
"DUMMY": ["M 2 3 4 5"],
"CONNECT": ["4 3 2 3 5 6"]
})
opt_test = QCInput.opt_template(opt_params)
opt_actual = """$opt
CONSTRAINT
tors 2 3 4 5 25.0
bend 2 1 4 110.0
ENDCONSTRAINT
FIXED
x y 2 4 5
ENDFIXED
DUMMY
M 2 3 4 5
ENDDUMMY
CONNECT
4 3 2 3 5 6
ENDCONNECT
$end"""
self.assertEqual(opt_actual, opt_test)
def test_opt_template(self):
opt_params = {
"CONSTRAINT": ["tors 2 3 4 5 25.0", "bend 2 1 4 110.0"],
"FIXED": ["x y 2 4 5"],
"DUMMY": ["M 2 3 4 5"],
"CONNECT": ["4 3 2 3 5 6"]
}
opt_test = QCInput.opt_template(opt_params).split("\n")
opt_actual_list = ["$opt",
"CONSTRAINT", " tors 2 3 4 5 25.0", " bend 2 1 4 110.0", "ENDCONSTRAINT",
"FIXED", " x y 2 4 5", "ENDFIXED",
"DUMMY", " M 2 3 4 5", "ENDDUMMY",
"CONNECT", " 4 3 2 3 5 6", "ENDCONNECT", "$end"]
for i_opt in opt_actual_list:
self.assertIn(i_opt, opt_test)
def test_opt_template(self):
opt_params = {
"CONSTRAINT": ["tors 2 3 4 5 25.0", "bend 2 1 4 110.0"],
"FIXED": ["x y 2 4 5"],
"DUMMY": ["M 2 3 4 5"],
"CONNECT": ["4 3 2 3 5 6"]
}
opt_test = QCInput.opt_template(opt_params).split("\n")
opt_actual_list = [
"$opt", "CONSTRAINT", " tors 2 3 4 5 25.0",
" bend 2 1 4 110.0", "ENDCONSTRAINT", "FIXED", " x y 2 4 5",
"ENDFIXED", "DUMMY", " M 2 3 4 5", "ENDDUMMY", "CONNECT",
" 4 3 2 3 5 6", "ENDCONNECT", "$end"
]
for i_opt in opt_actual_list:
self.assertIn(i_opt, opt_test)
