# This file was automatically generated by SWIG (http://www.swig.org).
# Version 3.0.12
#
# Do not make changes to this file unless you know what you are doing--modify
# the SWIG interface file instead.
from sys import version_info as _swig_python_version_info
if _swig_python_version_info >= (2, 7, 0):
def swig_import_helper():
import importlib
pkg = __name__.rpartition('.')[0]
mname = '.'.join((pkg, '_structure')).lstrip('.')
try:
return importlib.import_module(mname)
except ImportError:
return importlib.import_module('_structure')
_structure = swig_import_helper()
del swig_import_helper
elif _swig_python_version_info >= (2, 6, 0):
def swig_import_helper():
from os.path import dirname
import imp
fp = None
try:
fp, pathname, description = imp.find_module('_structure', [dirname(__file__)])
except ImportError:
import _structure
return _structure
try:
_mod = imp.load_module('_structure', fp, pathname, description)
finally:
if fp is not None:
fp.close()
return _mod
_structure = swig_import_helper()
del swig_import_helper
else:
import _structure
# pull in all the attributes from _structure
if __name__.rpartition('.')[0] != '':
if _swig_python_version_info >= (2, 7, 0):
try:
from ._structure import *
except ImportError:
from _structure import *
else:
from _structure import *
else:
from _structure import *
del _swig_python_version_info
try:
_swig_property = property
except NameError:
pass # Python < 2.2 doesn't have 'property'.
try:
import builtins as __builtin__
except ImportError:
import __builtin__
def _swig_setattr_nondynamic(self, class_type, name, value, static=1):
if (name == "thisown"):
return self.this.own(value)
if (name == "this"):
if type(value).__name__ == 'SwigPyObject':
self.__dict__[name] = value
return
method = class_type.__swig_setmethods__.get(name, None)
if method:
return method(self, value)
if (not static):
object.__setattr__(self, name, value)
else:
raise AttributeError("You cannot add attributes to %s" % self)
def _swig_setattr(self, class_type, name, value):
return _swig_setattr_nondynamic(self, class_type, name, value, 0)
def _swig_getattr(self, class_type, name):
if (name == "thisown"):
return self.this.own()
method = class_type.__swig_getmethods__.get(name, None)
if method:
return method(self)
raise AttributeError("'%s' object has no attribute '%s'" % (class_type.__name__, name))
def _swig_repr(self):
try:
strthis = "proxy of " + self.this.__repr__()
except __builtin__.Exception:
strthis = ""
return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
def _swig_setattr_nondynamic_method(set):
def set_attr(self, name, value):
if (name == "thisown"):
return self.this.own(value)
if hasattr(self, name) or (name == "this"):
set(self, name, value)
else:
raise AttributeError("You cannot add attributes to %s" % self)
return set_attr
[docs]class PyStructureReaderException(Exception):
[docs] def __init__(self, exc):
Exception.__init__(self, exc.what())
self.structure_reader_exc = exc
[docs] def isEOF(self):
return self.structure_reader_exc.isEOF()
[docs]class MmctSerializerException(RuntimeError):
pass
__all__ = [e for e in dir() if not e.startswith(('_', 'Swig', 'SWIG'))]
[docs]class TextBlockReader(_TextBlockReader):
def __enter__(self):
return self
def __exit__(self, *ex):
self.close()
del _TextBlockReader
[docs]class TextBlockWriter(_TextBlockWriter):
def __enter__(self):
return self
def __exit__(self, *ex):
self.close()
del _TextBlockWriter
[docs]class FileSplitStrategy:
FileSize = FileSplitStrategy_FileSize
StructureCount = FileSplitStrategy_StructureCount
del FileSplitStrategy_FileSize
del FileSplitStrategy_StructureCount
del _WorkflowMenuMaestroWriter
[docs]class WorkflowType:
NONE = WorkflowType_NONE
PER_STRUCTURE = WorkflowType_PER_STRUCTURE
POSE_VIEWER = WorkflowType_POSE_VIEWER
PROTEIN_DOCKING_POSE = WorkflowType_PROTEIN_DOCKING_POSE
PHASE_COMMON_PH4 = WorkflowType_PHASE_COMMON_PH4
ANTIBODY_MODEL = WorkflowType_ANTIBODY_MODEL
AUTOTS_ANALYSIS = WorkflowType_AUTOTS_ANALYSIS
JAG_GEOPT = WorkflowType_JAG_GEOPT
JAG_SCAN = WorkflowType_JAG_SCAN
JAG_MACRO_PKA_RESULTS = WorkflowType_JAG_MACRO_PKA_RESULTS
HYDROKINETIC_RATING = WorkflowType_HYDROKINETIC_RATING
MS_TG = WorkflowType_MS_TG
MS_OPTOELECTRONICS = WorkflowType_MS_OPTOELECTRONICS
MS_PREPARE_FOR_MD = WorkflowType_MS_PREPARE_FOR_MD
MS_DISORDERED_SYSTEM = WorkflowType_MS_DISORDERED_SYSTEM
MS_POLYMER_BUILDER = WorkflowType_MS_POLYMER_BUILDER
MS_STRESS_STRAIN = WorkflowType_MS_STRESS_STRAIN
MS_PENETRANT_LOADING = WorkflowType_MS_PENETRANT_LOADING
MS_ELASTIC_CONSTANTS = WorkflowType_MS_ELASTIC_CONSTANTS
MS_DIFFUSION_COEFFICIENT = WorkflowType_MS_DIFFUSION_COEFFICIENT
MS_VISCOSITY = WorkflowType_MS_VISCOSITY
MS_AMORPHOUS_DIELECTRIC = WorkflowType_MS_AMORPHOUS_DIELECTRIC
MS_POWDER_DIFFRACTION_PATTERN = WorkflowType_MS_POWDER_DIFFRACTION_PATTERN
MS_SIMULATION_PROFILE = WorkflowType_MS_SIMULATION_PROFILE
MS_POLYMER_CHAIN_ANALYSIS = WorkflowType_MS_POLYMER_CHAIN_ANALYSIS
MS_KMC_CHARGE_MOBILITY = WorkflowType_MS_KMC_CHARGE_MOBILITY
MS_ADSORPTION_ENERGY = WorkflowType_MS_ADSORPTION_ENERGY
MS_MORPHOLOGY = WorkflowType_MS_MORPHOLOGY
MS_GENETIC_OPTIMIZATION = WorkflowType_MS_GENETIC_OPTIMIZATION
MS_POLYMER_CROSSLINK = WorkflowType_MS_POLYMER_CROSSLINK
MS_CG_FF_ASSIGNMENT = WorkflowType_MS_CG_FF_ASSIGNMENT
MS_SURFACES_INTERFACES = WorkflowType_MS_SURFACES_INTERFACES
MS_BANDSHAPE = WorkflowType_MS_BANDSHAPE
MS_DISORDERED_NO_SYSTEM = WorkflowType_MS_DISORDERED_NO_SYSTEM
MS_KMC_CHARGE_HOPPING = WorkflowType_MS_KMC_CHARGE_HOPPING
MS_ORDER_PARAMETER = WorkflowType_MS_ORDER_PARAMETER
MS_STRUCTURE_FACTOR = WorkflowType_MS_STRUCTURE_FACTOR
MS_SURFACTANT_TILT = WorkflowType_MS_SURFACTANT_TILT
MS_UNCERTIANTY_QUANTIFICATION = WorkflowType_MS_UNCERTIANTY_QUANTIFICATION
MS_FREE_VOLUME = WorkflowType_MS_FREE_VOLUME
MS_ELECTROLYTE_ANALYSIS = WorkflowType_MS_ELECTROLYTE_ANALYSIS
MS_CLUSTER_ANALYSIS = WorkflowType_MS_CLUSTER_ANALYSIS
MS_BAND_STRUCTURE = WorkflowType_MS_BAND_STRUCTURE
MS_DENSITY_OF_STATES = WorkflowType_MS_DENSITY_OF_STATES
MS_PROJECTED_DENSITY_OF_STATES = WorkflowType_MS_PROJECTED_DENSITY_OF_STATES
MS_PHONON_DENSITY_OF_STATES = WorkflowType_MS_PHONON_DENSITY_OF_STATES
MS_PHONON_DISPERSION = WorkflowType_MS_PHONON_DISPERSION
MS_ESM_DENSITY_POTENTIAL = WorkflowType_MS_ESM_DENSITY_POTENTIAL
MS_DIELECTRIC_FUNCTION = WorkflowType_MS_DIELECTRIC_FUNCTION
MS_EQUATION_OF_STATE = WorkflowType_MS_EQUATION_OF_STATE
MS_CONVERGENCE_TESTS = WorkflowType_MS_CONVERGENCE_TESTS
RESIDUE_SCANNING = WorkflowType_RESIDUE_SCANNING
MS_EXCITED_STATE_ANALYSIS = WorkflowType_MS_EXCITED_STATE_ANALYSIS
MS_SURFACE_TENSION = WorkflowType_MS_SURFACE_TENSION
MS_TORSION_PROFILE_ANALYSIS = WorkflowType_MS_TORSION_PROFILE_ANALYSIS
MS_BOND_DISSOCIATION = WorkflowType_MS_BOND_DISSOCIATION
MS_MD_BUILDERS_MAE = WorkflowType_MS_MD_BUILDERS_MAE
MS_MD_BUILDERS_CMS = WorkflowType_MS_MD_BUILDERS_CMS
PRIME_HOMOLOGY = WorkflowType_PRIME_HOMOLOGY
MS_TRAJECTORY_ESP_ANALYSIS = WorkflowType_MS_TRAJECTORY_ESP_ANALYSIS
MS_EVAPORATION_ANALYSIS = WorkflowType_MS_EVAPORATION_ANALYSIS
MS_VISCOSITY_DIFFUSION = WorkflowType_MS_VISCOSITY_DIFFUSION
MS_MD_TRAJ_ANALYSIS = WorkflowType_MS_MD_TRAJ_ANALYSIS
MS_CG_FF_BUILDER = WorkflowType_MS_CG_FF_BUILDER
MS_DROPLET_CONTACT = WorkflowType_MS_DROPLET_CONTACT
del WorkflowType_NONE
del WorkflowType_PER_STRUCTURE
del WorkflowType_POSE_VIEWER
del WorkflowType_PROTEIN_DOCKING_POSE
del WorkflowType_PHASE_COMMON_PH4
del WorkflowType_ANTIBODY_MODEL
del WorkflowType_AUTOTS_ANALYSIS
del WorkflowType_JAG_GEOPT
del WorkflowType_JAG_SCAN
del WorkflowType_HYDROKINETIC_RATING
del WorkflowType_MS_TG
del WorkflowType_MS_OPTOELECTRONICS
del WorkflowType_MS_PREPARE_FOR_MD
del WorkflowType_MS_DISORDERED_SYSTEM
del WorkflowType_MS_POLYMER_BUILDER
del WorkflowType_MS_STRESS_STRAIN
del WorkflowType_MS_PENETRANT_LOADING
del WorkflowType_MS_ELASTIC_CONSTANTS
del WorkflowType_MS_DIFFUSION_COEFFICIENT
del WorkflowType_MS_VISCOSITY
del WorkflowType_MS_AMORPHOUS_DIELECTRIC
del WorkflowType_MS_POWDER_DIFFRACTION_PATTERN
del WorkflowType_MS_SIMULATION_PROFILE
del WorkflowType_MS_POLYMER_CHAIN_ANALYSIS
del WorkflowType_MS_KMC_CHARGE_MOBILITY
del WorkflowType_MS_ADSORPTION_ENERGY
del WorkflowType_MS_MORPHOLOGY
del WorkflowType_MS_GENETIC_OPTIMIZATION
del WorkflowType_MS_POLYMER_CROSSLINK
del WorkflowType_MS_CG_FF_ASSIGNMENT
del WorkflowType_MS_SURFACES_INTERFACES
del WorkflowType_MS_BANDSHAPE
del WorkflowType_MS_DISORDERED_NO_SYSTEM
del WorkflowType_MS_KMC_CHARGE_HOPPING
del WorkflowType_MS_ORDER_PARAMETER
del WorkflowType_MS_STRUCTURE_FACTOR
del WorkflowType_MS_SURFACTANT_TILT
del WorkflowType_MS_UNCERTIANTY_QUANTIFICATION
del WorkflowType_MS_FREE_VOLUME
del WorkflowType_MS_ELECTROLYTE_ANALYSIS
del WorkflowType_MS_CLUSTER_ANALYSIS
del WorkflowType_MS_BAND_STRUCTURE
del WorkflowType_MS_DENSITY_OF_STATES
del WorkflowType_MS_PROJECTED_DENSITY_OF_STATES
del WorkflowType_MS_PHONON_DENSITY_OF_STATES
del WorkflowType_MS_PHONON_DISPERSION
del WorkflowType_MS_ESM_DENSITY_POTENTIAL
del WorkflowType_MS_DIELECTRIC_FUNCTION
del WorkflowType_MS_EQUATION_OF_STATE
del WorkflowType_MS_CONVERGENCE_TESTS
del WorkflowType_RESIDUE_SCANNING
del WorkflowType_MS_EXCITED_STATE_ANALYSIS
del WorkflowType_MS_SURFACE_TENSION
del WorkflowType_MS_TORSION_PROFILE_ANALYSIS
del WorkflowType_MS_BOND_DISSOCIATION
del WorkflowType_MS_MD_BUILDERS_MAE
del WorkflowType_MS_MD_BUILDERS_CMS
del WorkflowType_PRIME_HOMOLOGY
del WorkflowType_MS_TRAJECTORY_ESP_ANALYSIS
del WorkflowType_MS_EVAPORATION_ANALYSIS
del WorkflowType_MS_VISCOSITY_DIFFUSION
del WorkflowType_MS_MD_TRAJ_ANALYSIS
del WorkflowType_MS_CG_FF_BUILDER
del WorkflowType_MS_DROPLET_CONTACT