Python keys Beispiele

Beispiel #1

Datei: test_par_parser.py Projekt: HubLot/PyTopol

def test_ncmaps():
	for name in list(ref.keys()):
		assert len(pars[name].cmappars) == ref[name]['ncmaps']

Beispiel #2

Datei: test_par_parser.py Projekt: HubLot/PyTopol

def test_nimpropers():
	for name in list(ref.keys()):
		assert len(pars[name].improperpars) == ref[name]['nimpropers']

Beispiel #3

Datei: test_par_parser.py Projekt: HubLot/PyTopol

def test_nnonbonding():
	for name in list(ref.keys()):
		assert len(pars[name].nonbonding) == ref[name]['nnonbonding']

Beispiel #4

Datei: test_par_parser.py Projekt: HubLot/PyTopol

def test_nangles():
	for name in list(ref.keys()):
		assert len(pars[name].anglepars) == ref[name]['nangles']

Beispiel #5

Datei: test_par_parser.py Projekt: HubLot/PyTopol

def test_dihedrals():
	for name in list(ref.keys()):
		ndih = sum([len(v) for v in list(pars[name].dihedralpars._data.values())])
		assert ndih == ref[name]['ndihedrals']

Beispiel #6

Datei: test_par_parser.py Projekt: HubLot/PyTopol

from pytopol import charmmpar
from config import par_files as ref

# set up the charmmpars
pars = {}
for name in list(ref.keys()):
    path = ref[name]['path']
    pars[name] = charmmpar.CharmmPar(path)


def test_nbonds():
	for name in list(ref.keys()):
		assert len(pars[name].bondpars) == ref[name]['nbonds']


def test_nangles():
	for name in list(ref.keys()):
		assert len(pars[name].anglepars) == ref[name]['nangles']

def test_dihedrals():
	for name in list(ref.keys()):
		ndih = sum([len(v) for v in list(pars[name].dihedralpars._data.values())])
		assert ndih == ref[name]['ndihedrals']

def test_nimpropers():
	for name in list(ref.keys()):
		assert len(pars[name].improperpars) == ref[name]['nimpropers']

def test_nnonbonding():
	for name in list(ref.keys()):

Beispiel #7

Datei: test_par_parser.py Projekt: HubLot/PyTopol

def test_nbonds():
	for name in list(ref.keys()):
		assert len(pars[name].bondpars) == ref[name]['nbonds']

Beispiel #8

def test_nnonbonding():
    for name in list(ref.keys()):
        assert len(pars[name].nonbonding) == ref[name]['nnonbonding']

Beispiel #9

def test_ncmaps():
    for name in list(ref.keys()):
        assert len(pars[name].cmappars) == ref[name]['ncmaps']

Beispiel #10

def test_nimpropers():
    for name in list(ref.keys()):
        assert len(pars[name].improperpars) == ref[name]['nimpropers']

Beispiel #11

def test_dihedrals():
    for name in list(ref.keys()):
        ndih = sum(
            [len(v) for v in list(pars[name].dihedralpars._data.values())])
        assert ndih == ref[name]['ndihedrals']

Beispiel #12

def test_nangles():
    for name in list(ref.keys()):
        assert len(pars[name].anglepars) == ref[name]['nangles']

Beispiel #13

def test_nbonds():
    for name in list(ref.keys()):
        assert len(pars[name].bondpars) == ref[name]['nbonds']

Beispiel #14

from pytopol import charmmpar
from config import par_files as ref

# set up the charmmpars
pars = {}
for name in list(ref.keys()):
    path = ref[name]['path']
    pars[name] = charmmpar.CharmmPar(path)


def test_nbonds():
    for name in list(ref.keys()):
        assert len(pars[name].bondpars) == ref[name]['nbonds']


def test_nangles():
    for name in list(ref.keys()):
        assert len(pars[name].anglepars) == ref[name]['nangles']


def test_dihedrals():
    for name in list(ref.keys()):
        ndih = sum(
            [len(v) for v in list(pars[name].dihedralpars._data.values())])
        assert ndih == ref[name]['ndihedrals']


def test_nimpropers():
    for name in list(ref.keys()):
        assert len(pars[name].improperpars) == ref[name]['nimpropers']