diff --git a/python/vasp/test/_inpconf/rpath.py b/python/vasp/test/_inpconf/rpath.py new file mode 100644 index 00000000..d289e092 --- /dev/null +++ b/python/vasp/test/_inpconf/rpath.py @@ -0,0 +1,2 @@ + +pass diff --git a/python/vasp/test/_inpconf/runtest.sh b/python/vasp/test/_inpconf/runtest.sh index 9b7bd8ca..4537817b 100755 --- a/python/vasp/test/_inpconf/runtest.sh +++ b/python/vasp/test/_inpconf/runtest.sh @@ -1 +1 @@ -PYTHONPATH=../../python:../../c:$PYTHONPATH python $1 +PYTHONPATH=../..:../../../../c:$PYTHONPATH python $1 diff --git a/python/vasp/test/_inpconf/test_general.py b/python/vasp/test/_inpconf/test_general.py index 64e7518e..f52495cf 100644 --- a/python/vasp/test/_inpconf/test_general.py +++ b/python/vasp/test/_inpconf/test_general.py @@ -1,6 +1,10 @@ r""" Tests of 'parse_general()' defined in ConfigParameters class """ +import os +import rpath +_rpath = os.path.dirname(rpath.__file__) + '/' + import arraytest import numpy as np from inpconf import ConfigParameters @@ -22,7 +26,7 @@ class TestParseGeneral(arraytest.ArrayTestCase): """ # Scenario 1 def test_example(self): - conf_pars = ConfigParameters('example.cfg') + conf_pars = ConfigParameters(_rpath + 'example.cfg') conf_pars.parse_general() res = conf_pars.general expected = {'basename': 'test_base', 'efermi': 0.1} diff --git a/python/vasp/test/_inpconf/test_groups.py b/python/vasp/test/_inpconf/test_groups.py index ed3f209d..3ebc3670 100644 --- a/python/vasp/test/_inpconf/test_groups.py +++ b/python/vasp/test/_inpconf/test_groups.py @@ -1,6 +1,10 @@ r""" Tests of 'parse_groups()' defined in ConfigParameters class """ +import os +import rpath +_rpath = os.path.dirname(rpath.__file__) + '/' + import arraytest import numpy as np from inpconf import ConfigParameters @@ -24,14 +28,14 @@ class TestParseGroups(arraytest.ArrayTestCase): """ # Scenario 1 def test_gr_required(self): - conf_pars = ConfigParameters('parse_groups_1.cfg') + conf_pars = ConfigParameters(_rpath + 'parse_groups_1.cfg') err_mess = "Required parameter" with self.assertRaisesRegexp(Exception, err_mess): conf_pars.parse_groups() # Scenario 2 def test_example(self): - conf_pars = ConfigParameters('example.cfg') + conf_pars = ConfigParameters(_rpath + 'example.cfg') conf_pars.parse_groups() res = conf_pars.groups expected = [{'index': 1, 'shells': [1, 2], 'emin': -7.6, 'emax': 3.0, diff --git a/python/vasp/test/_inpconf/test_input.py b/python/vasp/test/_inpconf/test_input.py index 365b96f2..eca74ea8 100644 --- a/python/vasp/test/_inpconf/test_input.py +++ b/python/vasp/test/_inpconf/test_input.py @@ -1,6 +1,10 @@ r""" Tests of 'parse_input()' defined in ConfigParameters class """ +import os +import rpath +_rpath = os.path.dirname(rpath.__file__) + '/' + import arraytest import numpy as np from inpconf import ConfigParameters @@ -32,35 +36,35 @@ class TestParseInput(arraytest.ArrayTestCase): """ # Scenario 1 def test_no_group(self): - conf_pars = ConfigParameters('input_test_1.cfg') + conf_pars = ConfigParameters(_rpath + 'input_test_1.cfg') err_mess = "At least one group" with self.assertRaisesRegexp(AssertionError, err_mess): conf_pars.parse_input() # Scenario 2 def test_gr_required(self): - conf_pars = ConfigParameters('input_test_2.cfg') + conf_pars = ConfigParameters(_rpath + 'input_test_2.cfg') err_mess = "One \[Shell\] section is" with self.assertRaisesRegexp(KeyError, err_mess): conf_pars.parse_input() # Scenario 3 def test_no_shell(self): - conf_pars = ConfigParameters('input_test_3.cfg') + conf_pars = ConfigParameters(_rpath + 'input_test_3.cfg') err_mess = "Shell 3 referenced in" with self.assertRaisesRegexp(Exception, err_mess): conf_pars.parse_input() # Scenario 4 def test_shell_outside_groups(self): - conf_pars = ConfigParameters('input_test_4.cfg') + conf_pars = ConfigParameters(_rpath + 'input_test_4.cfg') err_mess = "Some shells are not inside" with self.assertRaisesRegexp(AssertionError, err_mess): conf_pars.parse_input() # Scenario 5 def test_example(self): - conf_pars = ConfigParameters('example.cfg') + conf_pars = ConfigParameters(_rpath + 'example.cfg') conf_pars.parse_input() # with open('parse_input.output.test', 'wt') as f: # f.write("Shells:\n") @@ -84,7 +88,7 @@ Groups: # Scenario 6 def test_example_no_groups(self): - conf_pars = ConfigParameters('example_nogroup.cfg') + conf_pars = ConfigParameters(_rpath + 'example_nogroup.cfg') conf_pars.parse_input() # with open('parse_input.output.test', 'wt') as f: # f.write("Shells:\n") diff --git a/python/vasp/test/_inpconf/test_parameter_set.py b/python/vasp/test/_inpconf/test_parameter_set.py index fb5bc988..f8d7f427 100644 --- a/python/vasp/test/_inpconf/test_parameter_set.py +++ b/python/vasp/test/_inpconf/test_parameter_set.py @@ -1,6 +1,10 @@ r""" Tests of 'parse_parameter_set()' defined in ConfigParameters class """ +import os +import rpath +_rpath = os.path.dirname(rpath.__file__) + '/' + import arraytest import numpy as np from inpconf import ConfigParameters @@ -29,7 +33,7 @@ class TestParseParameterSet(arraytest.ArrayTestCase): """ """ # Dummy ConfigParameters object - self.cpars = ConfigParameters('test1.cfg') + self.cpars = ConfigParameters(_rpath + 'test1.cfg') # Scenario 1 def test_sh_required(self): diff --git a/python/vasp/test/_inpconf/test_shells.py b/python/vasp/test/_inpconf/test_shells.py index 24f73981..062fb28d 100644 --- a/python/vasp/test/_inpconf/test_shells.py +++ b/python/vasp/test/_inpconf/test_shells.py @@ -1,6 +1,10 @@ r""" Tests of 'parse_shells()' defined in ConfigParameters class """ +import os +import rpath +_rpath = os.path.dirname(rpath.__file__) + '/' + import arraytest import numpy as np from inpconf import ConfigParameters @@ -29,28 +33,28 @@ class TestParseShells(arraytest.ArrayTestCase): """ # Scenario 1 def test_no_shell(self): - conf_pars = ConfigParameters('parse_shells_1.cfg') + conf_pars = ConfigParameters(_rpath + 'parse_shells_1.cfg') err_mess = "No projected shells" with self.assertRaisesRegexp(AssertionError, err_mess): conf_pars.parse_shells() # Scenario 2 def test_bad_indices(self): - conf_pars = ConfigParameters('parse_shells_2.cfg') + conf_pars = ConfigParameters(_rpath + 'parse_shells_2.cfg') err_mess = "Failed to extract shell indices" with self.assertRaisesRegexp(ValueError, err_mess): conf_pars.parse_shells() # Scenario 3 def test_sh_required(self): - conf_pars = ConfigParameters('parse_shells_3.cfg') + conf_pars = ConfigParameters(_rpath + 'parse_shells_3.cfg') err_mess = "Required parameter" with self.assertRaisesRegexp(Exception, err_mess): conf_pars.parse_shells() # Scenario 4 def test_two_shells(self): - conf_pars = ConfigParameters('parse_shells_4.cfg') + conf_pars = ConfigParameters(_rpath + 'parse_shells_4.cfg') conf_pars.parse_shells() res = conf_pars.shells expected = [{'user_index': 1, 'lshell': 2, 'ion_list': np.array([4, 5, 6, 7])}, diff --git a/python/vasp/test/_inpconf/test_special_parsers.py b/python/vasp/test/_inpconf/test_special_parsers.py index 233c44a0..61fbbcb6 100644 --- a/python/vasp/test/_inpconf/test_special_parsers.py +++ b/python/vasp/test/_inpconf/test_special_parsers.py @@ -1,6 +1,10 @@ r""" Tests of special parseres defined in ConfigParameters class """ +import os +import rpath +_rpath = os.path.dirname(rpath.__file__) + '/' + import arraytest import numpy as np from inpconf import ConfigParameters @@ -26,7 +30,7 @@ class TestParseStringLogical(arraytest.ArrayTestCase): """ """ # Dummy ConfigParameters object - self.cpars = ConfigParameters('test1.cfg') + self.cpars = ConfigParameters(_rpath + 'test1.cfg') # Scenario 1 def test_true(self): @@ -66,7 +70,7 @@ class TestParseStringIonList(arraytest.ArrayTestCase): """ """ # Dummy ConfigParameters object - self.cpars = ConfigParameters('test1.cfg') + self.cpars = ConfigParameters(_rpath + 'test1.cfg') # Scenario 1 def test_simple_list(self): @@ -123,7 +127,7 @@ class TestParseStringTmatrix(arraytest.ArrayTestCase): """ """ # Dummy ConfigParameters object - self.cpars = ConfigParameters('test1.cfg') + self.cpars = ConfigParameters(_rpath + 'test1.cfg') # Scenario 1 def test_number_of_columns(self): diff --git a/python/vasp/test/run_all.sh b/python/vasp/test/run_all.sh index 5d4368ea..97e004bd 100755 --- a/python/vasp/test/run_all.sh +++ b/python/vasp/test/run_all.sh @@ -1 +1 @@ -PYTHONPATH=$HOME/Codes/vasp/vasp5.3/plo_vasp/plovasp/python:$HOME/Codes/vasp/vasp5.3/plo_vasp/plovasp/c:$PYTHONPATH python test_all.py +PYTHONPATH=../:../../../c:$PYTHONPATH python test_all.py