Python keys示例

示例#1

文件： test_par_parser.py 项目： HubLot/PyTopol

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

示例#2

文件： test_par_parser.py 项目： HubLot/PyTopol

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

示例#3

文件： test_par_parser.py 项目： HubLot/PyTopol

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

示例#4

文件： test_par_parser.py 项目： HubLot/PyTopol

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

示例#5

文件： test_par_parser.py 项目： 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']

示例#6

文件： test_par_parser.py 项目： 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()):

示例#7

文件： test_par_parser.py 项目： HubLot/PyTopol

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

示例#8

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

示例#9

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

示例#10

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

示例#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']

示例#12

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

示例#13

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

示例#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']