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Scientific Software
MDANSE
Commits
394c94eb
Commit
394c94eb
authored
Nov 11, 2015
by
eric pellegrini
Browse files
Updated the Configurator unit test with recent changes in API
parent
b978d9ce
Changes
1
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Inline
Side-by-side
Tests/UnitTests/TestConfigurator.py
View file @
394c94eb
...
...
@@ -244,19 +244,19 @@ class TestConfigurator(UnitTest):
self
.
_parameters
[
"trajectory"
]
=
self
.
_validTrajectory
.
filename
self
.
_parameters
[
"atom_selection"
]
=
None
self
.
_configurable
.
setup
(
self
.
_parameters
)
self
.
assertEqual
(
self
.
_configurable
[
'atom_selection'
][
'
n_
select
ed_atoms
'
],
self
.
_configurable
[
'trajectory'
][
'instance'
].
universe
.
numberOfAtoms
())
self
.
assertEqual
(
self
.
_configurable
[
'atom_selection'
][
'select
ion_length
'
],
self
.
_configurable
[
'trajectory'
][
'instance'
].
universe
.
numberOfAtoms
())
# Test that 'all' parameters selects everything
self
.
_parameters
[
"trajectory"
]
=
self
.
_validTrajectory
.
filename
self
.
_parameters
[
"atom_selection"
]
=
'all'
self
.
_configurable
.
setup
(
self
.
_parameters
)
self
.
assertEqual
(
self
.
_configurable
[
'atom_selection'
][
'
n_
select
ed_atoms
'
],
self
.
_configurable
[
'trajectory'
][
'instance'
].
universe
.
numberOfAtoms
())
self
.
assertEqual
(
self
.
_configurable
[
'atom_selection'
][
'select
ion_length
'
],
self
.
_configurable
[
'trajectory'
][
'instance'
].
universe
.
numberOfAtoms
())
# Test a valid atom selection string
self
.
_parameters
[
"trajectory"
]
=
self
.
_validTrajectory
.
filename
self
.
_parameters
[
"atom_selection"
]
=
'atom_type carbon'
self
.
assertNotRaises
(
self
.
_configurable
.
setup
,
self
.
_parameters
)
self
.
assertEqual
(
self
.
_configurable
[
'atom_selection'
][
'
n_
select
ed_atoms
'
],
sum
([
True
for
at
in
self
.
_configurable
[
'trajectory'
][
'instance'
].
universe
.
atomList
()
if
at
.
symbol
==
'C'
]))
self
.
assertEqual
(
self
.
_configurable
[
'atom_selection'
][
'select
ion_length
'
],
sum
([
True
for
at
in
self
.
_configurable
[
'trajectory'
][
'instance'
].
universe
.
atomList
()
if
at
.
symbol
==
'C'
]))
def
test_atom_transmutation
(
self
):
...
...
@@ -284,7 +284,7 @@ class TestConfigurator(UnitTest):
self
.
_parameters
[
"trajectory"
]
=
self
.
_validTrajectory
.
filename
self
.
_parameters
[
"atom_transmutation"
]
=
None
self
.
_configurable
.
setup
(
self
.
_parameters
)
self
.
assertEqual
(
self
.
_configurable
[
'atom_selection'
][
'
n_
select
ed_atoms
'
],
self
.
_configurable
[
'trajectory'
][
'instance'
].
universe
.
numberOfAtoms
())
self
.
assertEqual
(
self
.
_configurable
[
'atom_selection'
][
'select
ion_length
'
],
self
.
_configurable
[
'trajectory'
][
'instance'
].
universe
.
numberOfAtoms
())
# Test a valid atom selection string
self
.
_parameters
[
"trajectory"
]
=
self
.
_validTrajectory
.
filename
...
...
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