def test_aliasing_incar(self):
os.chdir(os.path.join(test_dir, "aliasing"))
shutil.copy("INCAR", "INCAR.orig")
h = AliasingErrorHandler("vasp.aliasing_incar")
h.check()
d = h.correct()
self.assertEqual(d["errors"], ['aliasing_incar'])
self.assertEqual(d["actions"],
[{'action': {'_unset': {'NGY':1, 'NGZ': 1}},
'dict': 'INCAR'}, {"file": "CHGCAR",
"action": {"_file_delete": {'mode': "actual"}}},
{"file": "WAVECAR",
"action": {"_file_delete": {'mode': "actual"}}}])
incar = Incar.from_file('INCAR.orig')
incar["ICHARG"] = 10
incar.write_file("INCAR")
d = h.correct()
self.assertEqual(d["errors"], ['aliasing_incar'])
self.assertEqual(d["actions"],
[{'action': {'_unset': {'NGY': 1, 'NGZ': 1}},
'dict': 'INCAR'}])
shutil.move("INCAR.orig", "INCAR")
clean_dir()
os.chdir(test_dir)
def test_aliasing_incar(self):
os.chdir(os.path.join(test_dir, "aliasing"))
shutil.copy("INCAR", "INCAR.orig")
h = AliasingErrorHandler("vasp.aliasing_incar")
h.check()
d = h.correct()
self.assertEqual(d["errors"], ['aliasing_incar'])
self.assertEqual(d["actions"],
[{'action': {'_unset': {'NGY':1, 'NGZ': 1}},
'dict': 'INCAR'}, {"file": "CHGCAR",
"action": {"_file_delete": {'mode': "actual"}}},
{"file": "WAVECAR",
"action": {"_file_delete": {'mode': "actual"}}}])
incar = Incar.from_file('INCAR.orig')
incar["ICHARG"] = 10
incar.write_file("INCAR")
d = h.correct()
self.assertEqual(d["errors"], ['aliasing_incar'])
self.assertEqual(d["actions"],
[{'action': {'_unset': {'NGY': 1, 'NGZ': 1}},
'dict': 'INCAR'}])
shutil.move("INCAR.orig", "INCAR")
clean_dir()
os.chdir(test_dir)
def test_aliasing(self):
os.chdir(os.path.join(test_dir, "aliasing"))
shutil.copy("INCAR", "INCAR.orig")
h = AliasingErrorHandler("vasp.aliasing")
h.check()
d = h.correct()
shutil.move("INCAR.orig", "INCAR")
clean_dir()
os.chdir(test_dir)
self.assertEqual(d["errors"], ['aliasing'])
self.assertEqual(d["actions"], [{
'action': {
'_set': {
'NGX': 34
}
},
'dict': 'INCAR'
}, {
"file": "CHGCAR",
"action": {
"_file_delete": {
'mode': "actual"
}
}
}, {
"file": "WAVECAR",
"action": {
"_file_delete": {
'mode': "actual"
}
}
}])
def test_aliasing_incar(self):
os.chdir(os.path.join(test_dir, "aliasing"))
shutil.copy("INCAR", "INCAR.orig")
h = AliasingErrorHandler("vasp.aliasing_incar")
h.check()
d = h.correct()
self.assertEqual(d["errors"], ["aliasing_incar"])
self.assertEqual(
d["actions"],
[
{
"action": {
"_unset": {
"NGY": 1,
"NGZ": 1
}
},
"dict": "INCAR"
},
{
"file": "CHGCAR",
"action": {
"_file_delete": {
"mode": "actual"
}
}
},
{
"file": "WAVECAR",
"action": {
"_file_delete": {
"mode": "actual"
}
}
},
],
)
incar = Incar.from_file("INCAR.orig")
incar["ICHARG"] = 10
incar.write_file("INCAR")
d = h.correct()
self.assertEqual(d["errors"], ["aliasing_incar"])
self.assertEqual(
d["actions"],
[{
"action": {
"_unset": {
"NGY": 1,
"NGZ": 1
}
},
"dict": "INCAR"
}],
)
shutil.move("INCAR.orig", "INCAR")
clean_dir()
os.chdir(test_dir)
def test_aliasing(self):
os.chdir(os.path.join(test_dir, "aliasing"))
shutil.copy("INCAR", "INCAR.orig")
h = AliasingErrorHandler("vasp.aliasing")
h.check()
d = h.correct()
shutil.move("INCAR.orig", "INCAR")
clean_dir()
os.chdir(test_dir)
self.assertEqual(d["errors"], ['aliasing'])
self.assertEqual(d["actions"],
[{'action': {'_set': {'NGX': 34}},
'dict': 'INCAR'}, {"file": "CHGCAR",
"action": {"_file_delete": {'mode': "actual"}}},
{"file": "WAVECAR",
"action": {"_file_delete": {'mode': "actual"}}}])
def test_aliasing(self):
os.chdir(os.path.join(test_dir, "aliasing"))
shutil.copy("INCAR", "INCAR.orig")
h = AliasingErrorHandler("vasp.aliasing")
h.check()
d = h.correct()
shutil.move("INCAR.orig", "INCAR")
clean_dir()
os.chdir(test_dir)
self.assertEqual(d["errors"], ["aliasing"])
self.assertEqual(
d["actions"],
[
{
"action": {
"_set": {
"NGX": 34
}
},
"dict": "INCAR"
},
{
"file": "CHGCAR",
"action": {
"_file_delete": {
"mode": "actual"
}
}
},
{
"file": "WAVECAR",
"action": {
"_file_delete": {
"mode": "actual"
}
}
},
],
)
