#######################################################################################
########### THE FOLLOWING LINES NEED TO BE CUSTOMIZED FOR EVERY CLASS ################
#######################################################################################
from molsysmt._private.exceptions import NotImplementedMethodError, NotWithThisFormError
from molsysmt._private.digestion import digest
import types
form='string:alphafold_id'
## From atom
[docs]
@digest(form=form)
def get_coordinates_from_atom(item, indices='all', structure_indices='all', skip_digestion=False):
from . import to_molsysmt_MolSys
from ..molsysmt_MolSys import get_coordinates_from_atom as aux_get
tmp_item = to_molsysmt_MolSys(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, structure_indices=structure_indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_occupancy_from_atom (item, indices='all', structure_indices='all', skip_digestion=False):
from . import to_molsysmt_MolSys
from ..molsysmt_MolSys import get_occupancy_from_atom as aux_get
tmp_item = to_molsysmt_MolSys(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, structure_indices='all', skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_alternate_location_from_atom (item, indices='all', structure_indices='all', skip_digestion=False):
from . import to_molsysmt_MolSys
from ..molsysmt_MolSys import get_alternate_location_from_atom as aux_get
tmp_item = to_molsysmt_MolSys(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, structure_indices='all', skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_b_factor_from_atom (item, indices='all', structure_indices='all', skip_digestion=False):
from . import to_molsysmt_MolSys
from ..molsysmt_MolSys import get_b_factor_from_atom as aux_get
tmp_item = to_molsysmt_MolSys(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, structure_indices='all', skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_partial_charge_from_atom (item, indices='all', skip_digestion=False):
from . import to_molsysmt_MolSys
from ..molsysmt_MolSys import get_partial_charge_from_atom as aux_get
tmp_item = to_molsysmt_MolSys(item, skip_digestion=True)
output = aux_get(tmp_item, indices=indices, skip_digestion=True)
return output
## From system
[docs]
@digest(form=form)
def get_n_structures_from_system(item, structure_indices='all', skip_digestion=False):
if is_all(structure_indices):
from . import to_molsysmt_MolSys
from ..molsysmt_MolSys import get_n_structures_from_system as aux_get
tmp_item = to_molsysmt_MolSys(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
else:
output = len(structure_indices)
return output
[docs]
@digest(form=form)
def get_coordinates_from_system(item, structure_indices='all', skip_digestion=False):
from . import to_molsysmt_MolSys
from ..molsysmt_MolSys import get_coordinates_from_system as aux_get
tmp_item = to_molsysmt_MolSys(item, skip_digestion=True)
output = aux_get(tmp_item, structure_indices=structure_indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_box_from_system(item, structure_indices='all', skip_digestion=False):
from . import to_molsysmt_MolSys
from ..molsysmt_MolSys import get_box_from_system as aux_get
tmp_item = to_molsysmt_MolSys(item, skip_digestion=True)
output = aux_get(tmp_item, structure_indices=structure_indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_time_from_system(item, structure_indices='all', skip_digestion=False):
from . import to_molsysmt_MolSys
from ..molsysmt_MolSys import get_time_from_system as aux_get
tmp_item = to_molsysmt_MolSys(item, skip_digestion=True)
output = aux_get(tmp_item, structure_indices=structure_indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_structure_id_from_system(item, structure_indices='all', skip_digestion=False):
from . import to_molsysmt_MolSys
from ..molsysmt_MolSys import get_structure_id_from_system as aux_get
tmp_item = to_molsysmt_MolSys(item, skip_digestion=True)
output = aux_get(tmp_item, structure_indices=structure_indices, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_bioassembly_from_system(item, skip_digestion=False):
from . import to_molsysmt_MolSys
from ..molsysmt_MolSys import get_bioassembly_from_system as aux_get
tmp_item = to_molsysmt_MolSys(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_n_bioassemblies_from_system(item, skip_digestion=False):
from . import to_molsysmt_MolSys
from ..molsysmt_MolSys import get_n_bioassemblies_from_system as aux_get
tmp_item = to_molsysmt_MolSys(item, skip_digestion=True)
output = aux_get(tmp_item, skip_digestion=True)
return output
[docs]
@digest(form=form)
def get_alternate_location_from_system (item, structure_indices='all', skip_digestion=False):
from . import to_molsysmt_MolSys
from ..molsysmt_MolSys import get_alternate_location_from_system as aux_get
tmp_item = to_molsysmt_MolSys(item, skip_digestion=True)
output = aux_get(tmp_item, structure_indices=structure_indices, skip_digestion=True)
return output
# List of functions to be imported
__all__ = [name for name, obj in globals().items() if isinstance(obj, types.FunctionType) and name.startswith('get_')]
