def __init__(self, filename, interpolation_mode='linear', in_memory=True):
self._molecule_name = sanitize_molecule_string(
pathlib.Path(filename).stem.split('_')[0])
super().__init__('HDF5Ktable:{}'.format(self._molecule_name),
interpolation_mode=interpolation_mode)
self._molecule_name = sanitize_molecule_string(
pathlib.Path(filename).stem.split('_')[0])
self._filename = filename
self._spec_dict = None
self._resolution = None
self.in_memory = in_memory
self._load_pickle_file(filename)
def discover(cls):
import os
import glob
import pathlib
from taurex.cache import GlobalCache
path = GlobalCache()['ktable_path']
if path is None:
return []
path = os.path.join(path, '*.hdf5')
files = glob.glob(path) + \
glob.glob(os.path.join(GlobalCache()['ktable_path'], '*.h5'))
discovery = []
interp = GlobalCache()['xsec_interpolation'] or 'linear'
for f in files:
splits = pathlib.Path(f).stem.split('_')
mol_name = sanitize_molecule_string(splits[0])
discovery.append((mol_name, [f, interp]))
return discovery
def __init__(self, filename, interpolation_mode='linear'):
super().__init__('NemesisKtable:{}'.format(
pathlib.Path(filename).stem[0:10]),
interpolation_mode=interpolation_mode)
self._filename = filename
splits = pathlib.Path(filename).stem.split('_')
mol_name = sanitize_molecule_string(splits[0])
self._molecule_name = mol_name
self._spec_dict = None
self._resolution = None
self._decode_ktables(filename)
def discover(cls):
import os
import glob
import pathlib
from taurex.cache import GlobalCache
from taurex.util.util import sanitize_molecule_string
path = GlobalCache()['xsec_path']
if path is None:
return []
path = os.path.join(path, '*.dat')
files = glob.glob(path)
discovery = []
interp = GlobalCache()['xsec_interpolation'] or 'linear'
for f in files:
mol_name = sanitize_molecule_string(pathlib.Path(f).stem[4:])
discovery.append((mol_name, [f, interp]))
return discovery
def test_molecule_sanitization_same():
from taurex.util.util import sanitize_molecule_string
names = [
'NH3',
'AsH3',
'C6H6',
'Br2',
'CS2',
'CO',
'CCl4',
'Cl2',
'ClO2',
'C2H4',
'H2COCH2',
'HCHO',
'H2NNH2',
'H2',
'HBr',
'HCl',
'HCN',
'H2O2',
'H2S',
'CH3SH',
'CH3NHNH2',
'NO',
'NO2',
'N2O4',
'O3',
'CH3COOOH',
'PH3',
'CH3CHOCH2',
'SiH4',
'SO2',
'SO2F2'
]
for n in names:
assert sanitize_molecule_string(n) == n
def test_molecule_sanitization(mol):
from taurex.util.util import sanitize_molecule_string
expected, exomol, mass = mol
assert sanitize_molecule_string(exomol) == expected
def determine_mass(self):
self.mass = calculate_weight(sanitize_molecule_string(self.molecule))
self.info('Auto determined mass as %.3f', self.mass)