Source code for schrodinger.energy

# 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.

"""schrodinger::energy C++ wrappers"""


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, '_energy')).lstrip('.')
        try:
            return importlib.import_module(mname)
        except ImportError:
            return importlib.import_module('_energy')
    _energy = 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('_energy', [dirname(__file__)])
        except ImportError:
            import _energy
            return _energy
        try:
            _mod = imp.load_module('_energy', fp, pathname, description)
        finally:
            if fp is not None:
                fp.close()
        return _mod
    _energy = swig_import_helper()
    del swig_import_helper
else:
    import _energy
# pull in all the attributes from _energy
if __name__.rpartition('.')[0] != '':
    if _swig_python_version_info >= (2, 7, 0):
        try:
            from ._energy import *
        except ImportError:
            from _energy import *
    else:
        from _energy import *
else:
    from _energy 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


try:
    import weakref
    weakref_proxy = weakref.proxy
except __builtin__.Exception:
    weakref_proxy = lambda x: x





class ComputeGradients:
    Enable = ComputeGradient_Enable
    Disable = ComputeGradient_Disable
class ANIModel:
    SCHRODINGER = ANIModel_SCHRODINGER
    ANI_1CCX = ANIModel_ANI_1CCX
    DESMOND = ANIModel_DESMOND
class ANIPrecision:
    SINGLE = ANIPrecision_SINGLE
    DOUBLE = ANIPrecision_DOUBLE
class Solvent:
    NONE = Solvent_NONE
    H2O = Solvent_H2O
class QRNNModel:
    DIRECT_2022_1 = QRNNModel_DIRECT_2022_1
    DELTA_2022_1 = QRNNModel_DELTA_2022_1
    DELTA_TRANSFER_2022_1 = QRNNModel_DELTA_TRANSFER_2022_1
    DIRECT_TRANSFER_2022_3 = QRNNModel_DIRECT_TRANSFER_2022_3


__all__ = [e for e in dir() if not e.startswith(('_', 'Swig', 'SWIG'))]