Source code for molpher.swig_wrappers.core

# This file was automatically generated by SWIG (http://www.swig.org).
# Version 3.0.10
#
# 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, '_core')).lstrip('.')
        try:
            return importlib.import_module(mname)
        except ImportError:
            return importlib.import_module('_core')
    _core = 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('_core', [dirname(__file__)])
        except ImportError:
            import _core
            return _core
        if fp is not None:
            try:
                _mod = imp.load_module('_core', fp, pathname, description)
            finally:
                fp.close()
            return _mod
    _core = swig_import_helper()
    del swig_import_helper
else:
    import _core
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):
        if _newclass:
            object.__setattr__(self, name, value)
        else:
            self.__dict__[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,)

try:
    _object = object
    _newclass = 1
except __builtin__.Exception:
    class _object:
        pass
    _newclass = 0

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


class SwigPyIterator(_object):
    __swig_setmethods__ = {}
    __setattr__ = lambda self, name, value: _swig_setattr(self, SwigPyIterator, name, value)
    __swig_getmethods__ = {}
    __getattr__ = lambda self, name: _swig_getattr(self, SwigPyIterator, name)

    def __init__(self, *args, **kwargs):
        raise AttributeError("No constructor defined - class is abstract")
    __repr__ = _swig_repr
    __swig_destroy__ = _core.delete_SwigPyIterator
    __del__ = lambda self: None

    def value(self):
        return _core.SwigPyIterator_value(self)

    def incr(self, n=1):
        return _core.SwigPyIterator_incr(self, n)

    def decr(self, n=1):
        return _core.SwigPyIterator_decr(self, n)

    def distance(self, x):
        return _core.SwigPyIterator_distance(self, x)

    def equal(self, x):
        return _core.SwigPyIterator_equal(self, x)

    def copy(self):
        return _core.SwigPyIterator_copy(self)

    def next(self):
        return _core.SwigPyIterator_next(self)

    def __next__(self):
        return _core.SwigPyIterator___next__(self)

    def previous(self):
        return _core.SwigPyIterator_previous(self)

    def advance(self, n):
        return _core.SwigPyIterator_advance(self, n)

    def __eq__(self, x):
        return _core.SwigPyIterator___eq__(self, x)

    def __ne__(self, x):
        return _core.SwigPyIterator___ne__(self, x)

    def __iadd__(self, n):
        return _core.SwigPyIterator___iadd__(self, n)

    def __isub__(self, n):
        return _core.SwigPyIterator___isub__(self, n)

    def __add__(self, n):
        return _core.SwigPyIterator___add__(self, n)

    def __sub__(self, *args):
        return _core.SwigPyIterator___sub__(self, *args)
    def __iter__(self):
        return self
SwigPyIterator_swigregister = _core.SwigPyIterator_swigregister
SwigPyIterator_swigregister(SwigPyIterator)

SHARED_PTR_DISOWN = _core.SHARED_PTR_DISOWN

def load_data_from(path):
    return _core.load_data_from(path)
load_data_from = _core.load_data_from

def set_random_seed(seed):
    return _core.set_random_seed(seed)
set_random_seed = _core.set_random_seed

def get_random_number(min, max):
    return _core.get_random_number(min, max)
get_random_number = _core.get_random_number
class StringSet(_object):
    __swig_setmethods__ = {}
    __setattr__ = lambda self, name, value: _swig_setattr(self, StringSet, name, value)
    __swig_getmethods__ = {}
    __getattr__ = lambda self, name: _swig_getattr(self, StringSet, name)
    __repr__ = _swig_repr

    def iterator(self):
        return _core.StringSet_iterator(self)
    def __iter__(self):
        return self.iterator()

    def __nonzero__(self):
        return _core.StringSet___nonzero__(self)

    def __bool__(self):
        return _core.StringSet___bool__(self)

    def __len__(self):
        return _core.StringSet___len__(self)

    def append(self, x):
        return _core.StringSet_append(self, x)

    def __contains__(self, x):
        return _core.StringSet___contains__(self, x)

    def __getitem__(self, i):
        return _core.StringSet___getitem__(self, i)

    def add(self, x):
        return _core.StringSet_add(self, x)

    def discard(self, x):
        return _core.StringSet_discard(self, x)

    def __init__(self, *args):
        this = _core.new_StringSet(*args)
        try:
            self.this.append(this)
        except __builtin__.Exception:
            self.this = this

    def empty(self):
        return _core.StringSet_empty(self)

    def size(self):
        return _core.StringSet_size(self)

    def clear(self):
        return _core.StringSet_clear(self)

    def swap(self, v):
        return _core.StringSet_swap(self, v)

    def count(self, x):
        return _core.StringSet_count(self, x)

    def begin(self):
        return _core.StringSet_begin(self)

    def end(self):
        return _core.StringSet_end(self)

    def rbegin(self):
        return _core.StringSet_rbegin(self)

    def rend(self):
        return _core.StringSet_rend(self)

    def erase(self, *args):
        return _core.StringSet_erase(self, *args)

    def find(self, x):
        return _core.StringSet_find(self, x)

    def lower_bound(self, x):
        return _core.StringSet_lower_bound(self, x)

    def upper_bound(self, x):
        return _core.StringSet_upper_bound(self, x)

    def equal_range(self, x):
        return _core.StringSet_equal_range(self, x)

    def insert(self, __x):
        return _core.StringSet_insert(self, __x)
    __swig_destroy__ = _core.delete_StringSet
    __del__ = lambda self: None
StringSet_swigregister = _core.StringSet_swigregister
StringSet_swigregister(StringSet)

class IntSet(_object):
    __swig_setmethods__ = {}
    __setattr__ = lambda self, name, value: _swig_setattr(self, IntSet, name, value)
    __swig_getmethods__ = {}
    __getattr__ = lambda self, name: _swig_getattr(self, IntSet, name)
    __repr__ = _swig_repr

    def iterator(self):
        return _core.IntSet_iterator(self)
    def __iter__(self):
        return self.iterator()

    def __nonzero__(self):
        return _core.IntSet___nonzero__(self)

    def __bool__(self):
        return _core.IntSet___bool__(self)

    def __len__(self):
        return _core.IntSet___len__(self)

    def append(self, x):
        return _core.IntSet_append(self, x)

    def __contains__(self, x):
        return _core.IntSet___contains__(self, x)

    def __getitem__(self, i):
        return _core.IntSet___getitem__(self, i)

    def add(self, x):
        return _core.IntSet_add(self, x)

    def discard(self, x):
        return _core.IntSet_discard(self, x)

    def __init__(self, *args):
        this = _core.new_IntSet(*args)
        try:
            self.this.append(this)
        except __builtin__.Exception:
            self.this = this

    def empty(self):
        return _core.IntSet_empty(self)

    def size(self):
        return _core.IntSet_size(self)

    def clear(self):
        return _core.IntSet_clear(self)

    def swap(self, v):
        return _core.IntSet_swap(self, v)

    def count(self, x):
        return _core.IntSet_count(self, x)

    def begin(self):
        return _core.IntSet_begin(self)

    def end(self):
        return _core.IntSet_end(self)

    def rbegin(self):
        return _core.IntSet_rbegin(self)

    def rend(self):
        return _core.IntSet_rend(self)

    def erase(self, *args):
        return _core.IntSet_erase(self, *args)

    def find(self, x):
        return _core.IntSet_find(self, x)

    def lower_bound(self, x):
        return _core.IntSet_lower_bound(self, x)

    def upper_bound(self, x):
        return _core.IntSet_upper_bound(self, x)

    def equal_range(self, x):
        return _core.IntSet_equal_range(self, x)

    def insert(self, __x):
        return _core.IntSet_insert(self, __x)
    __swig_destroy__ = _core.delete_IntSet
    __del__ = lambda self: None
IntSet_swigregister = _core.IntSet_swigregister
IntSet_swigregister(IntSet)

class StringVector(_object):
    __swig_setmethods__ = {}
    __setattr__ = lambda self, name, value: _swig_setattr(self, StringVector, name, value)
    __swig_getmethods__ = {}
    __getattr__ = lambda self, name: _swig_getattr(self, StringVector, name)
    __repr__ = _swig_repr

    def iterator(self):
        return _core.StringVector_iterator(self)
    def __iter__(self):
        return self.iterator()

    def __nonzero__(self):
        return _core.StringVector___nonzero__(self)

    def __bool__(self):
        return _core.StringVector___bool__(self)

    def __len__(self):
        return _core.StringVector___len__(self)

    def __getslice__(self, i, j):
        return _core.StringVector___getslice__(self, i, j)

    def __setslice__(self, *args):
        return _core.StringVector___setslice__(self, *args)

    def __delslice__(self, i, j):
        return _core.StringVector___delslice__(self, i, j)

    def __delitem__(self, *args):
        return _core.StringVector___delitem__(self, *args)

    def __getitem__(self, *args):
        return _core.StringVector___getitem__(self, *args)

    def __setitem__(self, *args):
        return _core.StringVector___setitem__(self, *args)

    def pop(self):
        return _core.StringVector_pop(self)

    def append(self, x):
        return _core.StringVector_append(self, x)

    def empty(self):
        return _core.StringVector_empty(self)

    def size(self):
        return _core.StringVector_size(self)

    def swap(self, v):
        return _core.StringVector_swap(self, v)

    def begin(self):
        return _core.StringVector_begin(self)

    def end(self):
        return _core.StringVector_end(self)

    def rbegin(self):
        return _core.StringVector_rbegin(self)

    def rend(self):
        return _core.StringVector_rend(self)

    def clear(self):
        return _core.StringVector_clear(self)

    def get_allocator(self):
        return _core.StringVector_get_allocator(self)

    def pop_back(self):
        return _core.StringVector_pop_back(self)

    def erase(self, *args):
        return _core.StringVector_erase(self, *args)

    def __init__(self, *args):
        this = _core.new_StringVector(*args)
        try:
            self.this.append(this)
        except __builtin__.Exception:
            self.this = this

    def push_back(self, x):
        return _core.StringVector_push_back(self, x)

    def front(self):
        return _core.StringVector_front(self)

    def back(self):
        return _core.StringVector_back(self)

    def assign(self, n, x):
        return _core.StringVector_assign(self, n, x)

    def resize(self, *args):
        return _core.StringVector_resize(self, *args)

    def insert(self, *args):
        return _core.StringVector_insert(self, *args)

    def reserve(self, n):
        return _core.StringVector_reserve(self, n)

    def capacity(self):
        return _core.StringVector_capacity(self)
    __swig_destroy__ = _core.delete_StringVector
    __del__ = lambda self: None
StringVector_swigregister = _core.StringVector_swigregister
StringVector_swigregister(StringVector)

class BoolVector(_object):
    __swig_setmethods__ = {}
    __setattr__ = lambda self, name, value: _swig_setattr(self, BoolVector, name, value)
    __swig_getmethods__ = {}
    __getattr__ = lambda self, name: _swig_getattr(self, BoolVector, name)
    __repr__ = _swig_repr

    def iterator(self):
        return _core.BoolVector_iterator(self)
    def __iter__(self):
        return self.iterator()

    def __nonzero__(self):
        return _core.BoolVector___nonzero__(self)

    def __bool__(self):
        return _core.BoolVector___bool__(self)

    def __len__(self):
        return _core.BoolVector___len__(self)

    def __getslice__(self, i, j):
        return _core.BoolVector___getslice__(self, i, j)

    def __setslice__(self, *args):
        return _core.BoolVector___setslice__(self, *args)

    def __delslice__(self, i, j):
        return _core.BoolVector___delslice__(self, i, j)

    def __delitem__(self, *args):
        return _core.BoolVector___delitem__(self, *args)

    def __getitem__(self, *args):
        return _core.BoolVector___getitem__(self, *args)

    def __setitem__(self, *args):
        return _core.BoolVector___setitem__(self, *args)

    def pop(self):
        return _core.BoolVector_pop(self)

    def append(self, x):
        return _core.BoolVector_append(self, x)

    def empty(self):
        return _core.BoolVector_empty(self)

    def size(self):
        return _core.BoolVector_size(self)

    def swap(self, v):
        return _core.BoolVector_swap(self, v)

    def begin(self):
        return _core.BoolVector_begin(self)

    def end(self):
        return _core.BoolVector_end(self)

    def rbegin(self):
        return _core.BoolVector_rbegin(self)

    def rend(self):
        return _core.BoolVector_rend(self)

    def clear(self):
        return _core.BoolVector_clear(self)

    def get_allocator(self):
        return _core.BoolVector_get_allocator(self)

    def pop_back(self):
        return _core.BoolVector_pop_back(self)

    def erase(self, *args):
        return _core.BoolVector_erase(self, *args)

    def __init__(self, *args):
        this = _core.new_BoolVector(*args)
        try:
            self.this.append(this)
        except __builtin__.Exception:
            self.this = this

    def push_back(self, x):
        return _core.BoolVector_push_back(self, x)

    def front(self):
        return _core.BoolVector_front(self)

    def back(self):
        return _core.BoolVector_back(self)

    def assign(self, n, x):
        return _core.BoolVector_assign(self, n, x)

    def resize(self, *args):
        return _core.BoolVector_resize(self, *args)

    def insert(self, *args):
        return _core.BoolVector_insert(self, *args)

    def reserve(self, n):
        return _core.BoolVector_reserve(self, n)

    def capacity(self):
        return _core.BoolVector_capacity(self)
    __swig_destroy__ = _core.delete_BoolVector
    __del__ = lambda self: None
BoolVector_swigregister = _core.BoolVector_swigregister
BoolVector_swigregister(BoolVector)

class MolpherMolVector(_object):
    __swig_setmethods__ = {}
    __setattr__ = lambda self, name, value: _swig_setattr(self, MolpherMolVector, name, value)
    __swig_getmethods__ = {}
    __getattr__ = lambda self, name: _swig_getattr(self, MolpherMolVector, name)
    __repr__ = _swig_repr

    def iterator(self):
        return _core.MolpherMolVector_iterator(self)
    def __iter__(self):
        return self.iterator()

    def __nonzero__(self):
        return _core.MolpherMolVector___nonzero__(self)

    def __bool__(self):
        return _core.MolpherMolVector___bool__(self)

    def __len__(self):
        return _core.MolpherMolVector___len__(self)

    def __getslice__(self, i, j):
        return _core.MolpherMolVector___getslice__(self, i, j)

    def __setslice__(self, *args):
        return _core.MolpherMolVector___setslice__(self, *args)

    def __delslice__(self, i, j):
        return _core.MolpherMolVector___delslice__(self, i, j)

    def __delitem__(self, *args):
        return _core.MolpherMolVector___delitem__(self, *args)

    def __getitem__(self, *args):
        return _core.MolpherMolVector___getitem__(self, *args)

    def __setitem__(self, *args):
        return _core.MolpherMolVector___setitem__(self, *args)

    def pop(self):
        return _core.MolpherMolVector_pop(self)

    def append(self, x):
        return _core.MolpherMolVector_append(self, x)

    def empty(self):
        return _core.MolpherMolVector_empty(self)

    def size(self):
        return _core.MolpherMolVector_size(self)

    def swap(self, v):
        return _core.MolpherMolVector_swap(self, v)

    def begin(self):
        return _core.MolpherMolVector_begin(self)

    def end(self):
        return _core.MolpherMolVector_end(self)

    def rbegin(self):
        return _core.MolpherMolVector_rbegin(self)

    def rend(self):
        return _core.MolpherMolVector_rend(self)

    def clear(self):
        return _core.MolpherMolVector_clear(self)

    def get_allocator(self):
        return _core.MolpherMolVector_get_allocator(self)

    def pop_back(self):
        return _core.MolpherMolVector_pop_back(self)

    def erase(self, *args):
        return _core.MolpherMolVector_erase(self, *args)

    def __init__(self, *args):
        this = _core.new_MolpherMolVector(*args)
        try:
            self.this.append(this)
        except __builtin__.Exception:
            self.this = this

    def push_back(self, x):
        return _core.MolpherMolVector_push_back(self, x)

    def front(self):
        return _core.MolpherMolVector_front(self)

    def back(self):
        return _core.MolpherMolVector_back(self)

    def assign(self, n, x):
        return _core.MolpherMolVector_assign(self, n, x)

    def resize(self, *args):
        return _core.MolpherMolVector_resize(self, *args)

    def insert(self, *args):
        return _core.MolpherMolVector_insert(self, *args)

    def reserve(self, n):
        return _core.MolpherMolVector_reserve(self, n)

    def capacity(self):
        return _core.MolpherMolVector_capacity(self)
    __swig_destroy__ = _core.delete_MolpherMolVector
    __del__ = lambda self: None
MolpherMolVector_swigregister = _core.MolpherMolVector_swigregister
MolpherMolVector_swigregister(MolpherMolVector)

class MolpherMolMap(_object):
    __swig_setmethods__ = {}
    __setattr__ = lambda self, name, value: _swig_setattr(self, MolpherMolMap, name, value)
    __swig_getmethods__ = {}
    __getattr__ = lambda self, name: _swig_getattr(self, MolpherMolMap, name)
    __repr__ = _swig_repr

    def iterator(self):
        return _core.MolpherMolMap_iterator(self)
    def __iter__(self):
        return self.iterator()

    def __nonzero__(self):
        return _core.MolpherMolMap___nonzero__(self)

    def __bool__(self):
        return _core.MolpherMolMap___bool__(self)

    def __len__(self):
        return _core.MolpherMolMap___len__(self)
    def __iter__(self):
        return self.key_iterator()
    def iterkeys(self):
        return self.key_iterator()
    def itervalues(self):
        return self.value_iterator()
    def iteritems(self):
        return self.iterator()

    def __getitem__(self, key):
        return _core.MolpherMolMap___getitem__(self, key)

    def __delitem__(self, key):
        return _core.MolpherMolMap___delitem__(self, key)

    def has_key(self, key):
        return _core.MolpherMolMap_has_key(self, key)

    def keys(self):
        return _core.MolpherMolMap_keys(self)

    def values(self):
        return _core.MolpherMolMap_values(self)

    def items(self):
        return _core.MolpherMolMap_items(self)

    def __contains__(self, key):
        return _core.MolpherMolMap___contains__(self, key)

    def key_iterator(self):
        return _core.MolpherMolMap_key_iterator(self)

    def value_iterator(self):
        return _core.MolpherMolMap_value_iterator(self)

    def __setitem__(self, *args):
        return _core.MolpherMolMap___setitem__(self, *args)

    def asdict(self):
        return _core.MolpherMolMap_asdict(self)

    def __init__(self, *args):
        this = _core.new_MolpherMolMap(*args)
        try:
            self.this.append(this)
        except __builtin__.Exception:
            self.this = this

    def empty(self):
        return _core.MolpherMolMap_empty(self)

    def size(self):
        return _core.MolpherMolMap_size(self)

    def swap(self, v):
        return _core.MolpherMolMap_swap(self, v)

    def begin(self):
        return _core.MolpherMolMap_begin(self)

    def end(self):
        return _core.MolpherMolMap_end(self)

    def rbegin(self):
        return _core.MolpherMolMap_rbegin(self)

    def rend(self):
        return _core.MolpherMolMap_rend(self)

    def clear(self):
        return _core.MolpherMolMap_clear(self)

    def get_allocator(self):
        return _core.MolpherMolMap_get_allocator(self)

    def count(self, x):
        return _core.MolpherMolMap_count(self, x)

    def erase(self, *args):
        return _core.MolpherMolMap_erase(self, *args)

    def find(self, x):
        return _core.MolpherMolMap_find(self, x)

    def lower_bound(self, x):
        return _core.MolpherMolMap_lower_bound(self, x)

    def upper_bound(self, x):
        return _core.MolpherMolMap_upper_bound(self, x)
    __swig_destroy__ = _core.delete_MolpherMolMap
    __del__ = lambda self: None
MolpherMolMap_swigregister = _core.MolpherMolMap_swigregister
MolpherMolMap_swigregister(MolpherMolMap)

[docs]class MolpherMol(_object): __swig_setmethods__ = {} __setattr__ = lambda self, name, value: _swig_setattr(self, MolpherMol, name, value) __swig_getmethods__ = {} __getattr__ = lambda self, name: _swig_getattr(self, MolpherMol, name) __repr__ = _swig_repr def __init__(self, *args): this = _core.new_MolpherMol(*args) try: self.this.append(this) except __builtin__.Exception: self.this = this __swig_destroy__ = _core.delete_MolpherMol __del__ = lambda self: None
[docs] def copy(self): return _core.MolpherMol_copy(self)
[docs] def getSMILES(self): return _core.MolpherMol_getSMILES(self)
[docs] def getDistToTarget(self): return _core.MolpherMol_getDistToTarget(self)
[docs] def getTree(self): return _core.MolpherMol_getTree(self)
[docs] def getParentSMILES(self): return _core.MolpherMol_getParentSMILES(self)
[docs] def getDescendants(self): return _core.MolpherMol_getDescendants(self)
[docs] def getHistoricDescendants(self): return _core.MolpherMol_getHistoricDescendants(self)
[docs] def getItersWithoutDistImprovement(self): return _core.MolpherMol_getItersWithoutDistImprovement(self)
[docs] def getSAScore(self): return _core.MolpherMol_getSAScore(self)
[docs] def getMolecularWeight(self): return _core.MolpherMol_getMolecularWeight(self)
def getFormula(self): return _core.MolpherMol_getFormula(self) def getParentOper(self): return _core.MolpherMol_getParentOper(self) def setOwner(self, tree): return _core.MolpherMol_setOwner(self, tree) def setSMILES(self, arg2): return _core.MolpherMol_setSMILES(self, arg2) def setParentSMILES(self, arg2): return _core.MolpherMol_setParentSMILES(self, arg2)
[docs] def setDistToTarget(self, dist): return _core.MolpherMol_setDistToTarget(self, dist)
[docs] def setSAScore(self, score): return _core.MolpherMol_setSAScore(self, score)
[docs] def setItersWithoutDistImprovement(self, count): return _core.MolpherMol_setItersWithoutDistImprovement(self, count)
def increaseItersWithoutDistImprovement(self): return _core.MolpherMol_increaseItersWithoutDistImprovement(self) def decreaseItersWithoutDistImprovement(self): return _core.MolpherMol_decreaseItersWithoutDistImprovement(self) def addToDescendants(self, smiles): return _core.MolpherMol_addToDescendants(self, smiles) def removeFromDescendants(self, smiles): return _core.MolpherMol_removeFromDescendants(self, smiles) def setDescendants(self, arg2): return _core.MolpherMol_setDescendants(self, arg2) def addToHistoricDescendants(self, smiles): return _core.MolpherMol_addToHistoricDescendants(self, smiles) def removeFromHistoricDescendants(self, smiles): return _core.MolpherMol_removeFromHistoricDescendants(self, smiles) def setHistoricDescendants(self, arg2): return _core.MolpherMol_setHistoricDescendants(self, arg2) def isValid(self): return _core.MolpherMol_isValid(self) def isBoundToTree(self): return _core.MolpherMol_isBoundToTree(self) def removeFromTree(self): return _core.MolpherMol_removeFromTree(self)
MolpherMol_swigregister = _core.MolpherMol_swigregister MolpherMol_swigregister(MolpherMol)
[docs]class ExplorationData(_object): __swig_setmethods__ = {} __setattr__ = lambda self, name, value: _swig_setattr(self, ExplorationData, name, value) __swig_getmethods__ = {} __getattr__ = lambda self, name: _swig_getattr(self, ExplorationData, name) __repr__ = _swig_repr def __init__(self): this = _core.new_ExplorationData() try: self.this.append(this) except __builtin__.Exception: self.this = this __swig_destroy__ = _core.delete_ExplorationData __del__ = lambda self: None def getGenerationCount(self): return _core.ExplorationData_getGenerationCount(self) def getThreadCount(self): return _core.ExplorationData_getThreadCount(self)
[docs] def getFingerprint(self): return _core.ExplorationData_getFingerprint(self)
[docs] def getSimilarityCoefficient(self): return _core.ExplorationData_getSimilarityCoefficient(self)
[docs] def getChemicalOperators(self): return _core.ExplorationData_getChemicalOperators(self)
[docs] def getMinAcceptableMolecularWeight(self): return _core.ExplorationData_getMinAcceptableMolecularWeight(self)
[docs] def getMaxAcceptableMolecularWeight(self): return _core.ExplorationData_getMaxAcceptableMolecularWeight(self)
[docs] def getCntCandidatesToKeep(self): return _core.ExplorationData_getCntCandidatesToKeep(self)
[docs] def getCntCandidatesToKeepMax(self): return _core.ExplorationData_getCntCandidatesToKeepMax(self)
[docs] def getCntMorphs(self): return _core.ExplorationData_getCntMorphs(self)
[docs] def getCntMorphsInDepth(self): return _core.ExplorationData_getCntMorphsInDepth(self)
[docs] def getDistToTargetDepthSwitch(self): return _core.ExplorationData_getDistToTargetDepthSwitch(self)
[docs] def getCntMaxMorphs(self): return _core.ExplorationData_getCntMaxMorphs(self)
[docs] def getItThreshold(self): return _core.ExplorationData_getItThreshold(self)
[docs] def getSource(self): return _core.ExplorationData_getSource(self)
[docs] def getTarget(self): return _core.ExplorationData_getTarget(self)
def getCandidates(self): return _core.ExplorationData_getCandidates(self) def getCandidatesMask(self): return _core.ExplorationData_getCandidatesMask(self) def getTreeMap(self): return _core.ExplorationData_getTreeMap(self) def getDerivationMap(self): return _core.ExplorationData_getDerivationMap(self) def setGenerationCount(self, arg2): return _core.ExplorationData_setGenerationCount(self, arg2) def setThreadCount(self, arg2): return _core.ExplorationData_setThreadCount(self, arg2)
[docs] def setFingerprint(self, arg2): return _core.ExplorationData_setFingerprint(self, arg2)
[docs] def setSimilarityCoefficient(self, arg2): return _core.ExplorationData_setSimilarityCoefficient(self, arg2)
[docs] def setChemicalOperators(self, arg2): return _core.ExplorationData_setChemicalOperators(self, arg2)
def addChemicalOperator(self, arg2): return _core.ExplorationData_addChemicalOperator(self, arg2) def removeChemicalOperator(self, arg2): return _core.ExplorationData_removeChemicalOperator(self, arg2)
[docs] def setMinAcceptableMolecularWeight(self, arg2): return _core.ExplorationData_setMinAcceptableMolecularWeight(self, arg2)
[docs] def setMaxAcceptableMolecularWeight(self, arg2): return _core.ExplorationData_setMaxAcceptableMolecularWeight(self, arg2)
[docs] def setCntCandidatesToKeep(self, arg2): return _core.ExplorationData_setCntCandidatesToKeep(self, arg2)
[docs] def setCntCandidatesToKeepMax(self, arg2): return _core.ExplorationData_setCntCandidatesToKeepMax(self, arg2)
[docs] def setCntMorphs(self, arg2): return _core.ExplorationData_setCntMorphs(self, arg2)
[docs] def setCntMorphsInDepth(self, arg2): return _core.ExplorationData_setCntMorphsInDepth(self, arg2)
[docs] def setDistToTargetDepthSwitch(self, arg2): return _core.ExplorationData_setDistToTargetDepthSwitch(self, arg2)
[docs] def setCntMaxMorphs(self, arg2): return _core.ExplorationData_setCntMaxMorphs(self, arg2)
[docs] def setItThreshold(self, arg2): return _core.ExplorationData_setItThreshold(self, arg2)
[docs] def setSource(self, arg2): return _core.ExplorationData_setSource(self, arg2)
[docs] def setTarget(self, arg2): return _core.ExplorationData_setTarget(self, arg2)
def setCandidates(self, arg2): return _core.ExplorationData_setCandidates(self, arg2) def addCandidate(self, *args): return _core.ExplorationData_addCandidate(self, *args) def removeCandidate(self, index): return _core.ExplorationData_removeCandidate(self, index) def setCandidatesMask(self, arg2): return _core.ExplorationData_setCandidatesMask(self, arg2) def setCandidatesMaskAt(self, arg2, arg3): return _core.ExplorationData_setCandidatesMaskAt(self, arg2, arg3) def addToTreeMap(self, arg2, arg3): return _core.ExplorationData_addToTreeMap(self, arg2, arg3) def popFromTreeMap(self, arg2): return _core.ExplorationData_popFromTreeMap(self, arg2) def addToDerivationMap(self, arg2, arg3): return _core.ExplorationData_addToDerivationMap(self, arg2, arg3) def increaseDerivationsCount(self, arg2): return _core.ExplorationData_increaseDerivationsCount(self, arg2) def decreaseDerivationsCount(self, arg2): return _core.ExplorationData_decreaseDerivationsCount(self, arg2) def popFromDerivationMap(self, arg2): return _core.ExplorationData_popFromDerivationMap(self, arg2) if _newclass: load = staticmethod(_core.ExplorationData_load) else: load = _core.ExplorationData_load
[docs] def save(self, file): return _core.ExplorationData_save(self, file)
def isValid(self): return _core.ExplorationData_isValid(self)
ExplorationData_swigregister = _core.ExplorationData_swigregister ExplorationData_swigregister(ExplorationData) def ExplorationData_load(file): return _core.ExplorationData_load(file) ExplorationData_load = _core.ExplorationData_load
[docs]class ExplorationTree(_object): __swig_setmethods__ = {} __setattr__ = lambda self, name, value: _swig_setattr(self, ExplorationTree, name, value) __swig_getmethods__ = {} __getattr__ = lambda self, name: _swig_getattr(self, ExplorationTree, name) def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined") __repr__ = _swig_repr if _newclass: create = staticmethod(_core.ExplorationTree_create) else: create = _core.ExplorationTree_create
[docs] def asData(self): return _core.ExplorationTree_asData(self)
[docs] def update(self, data): return _core.ExplorationTree_update(self, data)
[docs] def runOperation(self, operation): return _core.ExplorationTree_runOperation(self, operation)
[docs] def fetchLeaves(self, increase_dist_improve_counter=False): return _core.ExplorationTree_fetchLeaves(self, increase_dist_improve_counter)
[docs] def fetchMol(self, canonSMILES): return _core.ExplorationTree_fetchMol(self, canonSMILES)
[docs] def hasMol(self, *args): return _core.ExplorationTree_hasMol(self, *args)
def isPathFound(self): return _core.ExplorationTree_isPathFound(self)
[docs] def deleteSubtree(self, canonSMILES, descendents_only=False): return _core.ExplorationTree_deleteSubtree(self, canonSMILES, descendents_only)
[docs] def generateMorphs(self): return _core.ExplorationTree_generateMorphs(self)
[docs] def sortMorphs(self): return _core.ExplorationTree_sortMorphs(self)
[docs] def filterMorphs(self, *args): return _core.ExplorationTree_filterMorphs(self, *args)
[docs] def extend(self): return _core.ExplorationTree_extend(self)
[docs] def prune(self): return _core.ExplorationTree_prune(self)
[docs] def traverse(self, *args): return _core.ExplorationTree_traverse(self, *args)
[docs] def save(self, filename): return _core.ExplorationTree_save(self, filename)
[docs] def getThreadCount(self): return _core.ExplorationTree_getThreadCount(self)
[docs] def getGenerationCount(self): return _core.ExplorationTree_getGenerationCount(self)
[docs] def getCandidateMorphs(self): return _core.ExplorationTree_getCandidateMorphs(self)
[docs] def getCandidateMorphsMask(self): return _core.ExplorationTree_getCandidateMorphsMask(self)
[docs] def setThreadCount(self, threadCnt): return _core.ExplorationTree_setThreadCount(self, threadCnt)
[docs] def setCandidateMorphsMask(self, arg2): return _core.ExplorationTree_setCandidateMorphsMask(self, arg2)
__swig_destroy__ = _core.delete_ExplorationTree __del__ = lambda self: None
ExplorationTree_swigregister = _core.ExplorationTree_swigregister ExplorationTree_swigregister(ExplorationTree) def ExplorationTree_create(*args): return _core.ExplorationTree_create(*args) ExplorationTree_create = _core.ExplorationTree_create
[docs]class TreeOperation(_object): __swig_setmethods__ = {} __setattr__ = lambda self, name, value: _swig_setattr(self, TreeOperation, name, value) __swig_getmethods__ = {} __getattr__ = lambda self, name: _swig_getattr(self, TreeOperation, name) __repr__ = _swig_repr def __init__(self, *args): if self.__class__ == TreeOperation: _self = None else: _self = self this = _core.new_TreeOperation(_self, *args) try: self.this.append(this) except __builtin__.Exception: self.this = this __swig_destroy__ = _core.delete_TreeOperation __del__ = lambda self: None
[docs] def __call__(self): return _core.TreeOperation___call__(self)
[docs] def getTree(self): return _core.TreeOperation_getTree(self)
[docs] def setTree(self, tree): return _core.TreeOperation_setTree(self, tree)
def __disown__(self): self.this.disown() _core.disown_TreeOperation(self) return weakref_proxy(self)
TreeOperation_swigregister = _core.TreeOperation_swigregister TreeOperation_swigregister(TreeOperation)
[docs]class FindLeavesOper(TreeOperation): __swig_setmethods__ = {} for _s in [TreeOperation]: __swig_setmethods__.update(getattr(_s, '__swig_setmethods__', {})) __setattr__ = lambda self, name, value: _swig_setattr(self, FindLeavesOper, name, value) __swig_getmethods__ = {} for _s in [TreeOperation]: __swig_getmethods__.update(getattr(_s, '__swig_getmethods__', {})) __getattr__ = lambda self, name: _swig_getattr(self, FindLeavesOper, name) __repr__ = _swig_repr def __init__(self, *args): this = _core.new_FindLeavesOper(*args) try: self.this.append(this) except __builtin__.Exception: self.this = this
[docs] def __call__(self): return _core.FindLeavesOper___call__(self)
[docs] def fetchLeaves(self): return _core.FindLeavesOper_fetchLeaves(self)
__swig_destroy__ = _core.delete_FindLeavesOper __del__ = lambda self: None
FindLeavesOper_swigregister = _core.FindLeavesOper_swigregister FindLeavesOper_swigregister(FindLeavesOper)
[docs]class GenerateMorphsOper(TreeOperation): __swig_setmethods__ = {} for _s in [TreeOperation]: __swig_setmethods__.update(getattr(_s, '__swig_setmethods__', {})) __setattr__ = lambda self, name, value: _swig_setattr(self, GenerateMorphsOper, name, value) __swig_getmethods__ = {} for _s in [TreeOperation]: __swig_getmethods__.update(getattr(_s, '__swig_getmethods__', {})) __getattr__ = lambda self, name: _swig_getattr(self, GenerateMorphsOper, name) __repr__ = _swig_repr def __init__(self, *args): this = _core.new_GenerateMorphsOper(*args) try: self.this.append(this) except __builtin__.Exception: self.this = this
[docs] def __call__(self): return _core.GenerateMorphsOper___call__(self)
__swig_destroy__ = _core.delete_GenerateMorphsOper __del__ = lambda self: None
GenerateMorphsOper_swigregister = _core.GenerateMorphsOper_swigregister GenerateMorphsOper_swigregister(GenerateMorphsOper)
[docs]class SortMorphsOper(TreeOperation): __swig_setmethods__ = {} for _s in [TreeOperation]: __swig_setmethods__.update(getattr(_s, '__swig_setmethods__', {})) __setattr__ = lambda self, name, value: _swig_setattr(self, SortMorphsOper, name, value) __swig_getmethods__ = {} for _s in [TreeOperation]: __swig_getmethods__.update(getattr(_s, '__swig_getmethods__', {})) __getattr__ = lambda self, name: _swig_getattr(self, SortMorphsOper, name) __repr__ = _swig_repr def __init__(self, *args): this = _core.new_SortMorphsOper(*args) try: self.this.append(this) except __builtin__.Exception: self.this = this
[docs] def __call__(self): return _core.SortMorphsOper___call__(self)
__swig_destroy__ = _core.delete_SortMorphsOper __del__ = lambda self: None
SortMorphsOper_swigregister = _core.SortMorphsOper_swigregister SortMorphsOper_swigregister(SortMorphsOper)
[docs]class FilterMorphsOper(TreeOperation): __swig_setmethods__ = {} for _s in [TreeOperation]: __swig_setmethods__.update(getattr(_s, '__swig_setmethods__', {})) __setattr__ = lambda self, name, value: _swig_setattr(self, FilterMorphsOper, name, value) __swig_getmethods__ = {} for _s in [TreeOperation]: __swig_getmethods__.update(getattr(_s, '__swig_getmethods__', {})) __getattr__ = lambda self, name: _swig_getattr(self, FilterMorphsOper, name) __repr__ = _swig_repr PROBABILITY = _core.FilterMorphsOper_PROBABILITY WEIGHT = _core.FilterMorphsOper_WEIGHT SYNTHESIS = _core.FilterMorphsOper_SYNTHESIS MAX_DERIVATIONS = _core.FilterMorphsOper_MAX_DERIVATIONS DUPLICATES = _core.FilterMorphsOper_DUPLICATES HISTORIC_DESCENDENTS = _core.FilterMorphsOper_HISTORIC_DESCENDENTS ALL = _core.FilterMorphsOper_ALL def __init__(self, *args): this = _core.new_FilterMorphsOper(*args) try: self.this.append(this) except __builtin__.Exception: self.this = this def __call__(self): return _core.FilterMorphsOper___call__(self) __swig_destroy__ = _core.delete_FilterMorphsOper __del__ = lambda self: None
FilterMorphsOper_swigregister = _core.FilterMorphsOper_swigregister FilterMorphsOper_swigregister(FilterMorphsOper)
[docs]class ExtendTreeOper(TreeOperation): __swig_setmethods__ = {} for _s in [TreeOperation]: __swig_setmethods__.update(getattr(_s, '__swig_setmethods__', {})) __setattr__ = lambda self, name, value: _swig_setattr(self, ExtendTreeOper, name, value) __swig_getmethods__ = {} for _s in [TreeOperation]: __swig_getmethods__.update(getattr(_s, '__swig_getmethods__', {})) __getattr__ = lambda self, name: _swig_getattr(self, ExtendTreeOper, name) __repr__ = _swig_repr def __init__(self, *args): this = _core.new_ExtendTreeOper(*args) try: self.this.append(this) except __builtin__.Exception: self.this = this
[docs] def __call__(self): return _core.ExtendTreeOper___call__(self)
__swig_destroy__ = _core.delete_ExtendTreeOper __del__ = lambda self: None
ExtendTreeOper_swigregister = _core.ExtendTreeOper_swigregister ExtendTreeOper_swigregister(ExtendTreeOper)
[docs]class PruneTreeOper(TreeOperation): __swig_setmethods__ = {} for _s in [TreeOperation]: __swig_setmethods__.update(getattr(_s, '__swig_setmethods__', {})) __setattr__ = lambda self, name, value: _swig_setattr(self, PruneTreeOper, name, value) __swig_getmethods__ = {} for _s in [TreeOperation]: __swig_getmethods__.update(getattr(_s, '__swig_getmethods__', {})) __getattr__ = lambda self, name: _swig_getattr(self, PruneTreeOper, name) __repr__ = _swig_repr def __init__(self, *args): this = _core.new_PruneTreeOper(*args) try: self.this.append(this) except __builtin__.Exception: self.this = this
[docs] def __call__(self): return _core.PruneTreeOper___call__(self)
__swig_destroy__ = _core.delete_PruneTreeOper __del__ = lambda self: None
PruneTreeOper_swigregister = _core.PruneTreeOper_swigregister PruneTreeOper_swigregister(PruneTreeOper)
[docs]class TraverseOper(TreeOperation): __swig_setmethods__ = {} for _s in [TreeOperation]: __swig_setmethods__.update(getattr(_s, '__swig_setmethods__', {})) __setattr__ = lambda self, name, value: _swig_setattr(self, TraverseOper, name, value) __swig_getmethods__ = {} for _s in [TreeOperation]: __swig_getmethods__.update(getattr(_s, '__swig_getmethods__', {})) __getattr__ = lambda self, name: _swig_getattr(self, TraverseOper, name) __repr__ = _swig_repr def __init__(self, *args): this = _core.new_TraverseOper(*args) try: self.this.append(this) except __builtin__.Exception: self.this = this
[docs] def __call__(self): return _core.TraverseOper___call__(self)
__swig_destroy__ = _core.delete_TraverseOper __del__ = lambda self: None
TraverseOper_swigregister = _core.TraverseOper_swigregister TraverseOper_swigregister(TraverseOper)
[docs]class TraverseCallback(_object): __swig_setmethods__ = {} __setattr__ = lambda self, name, value: _swig_setattr(self, TraverseCallback, name, value) __swig_getmethods__ = {} __getattr__ = lambda self, name: _swig_getattr(self, TraverseCallback, name) __repr__ = _swig_repr def __init__(self): if self.__class__ == TraverseCallback: _self = None else: _self = self this = _core.new_TraverseCallback(_self, ) try: self.this.append(this) except __builtin__.Exception: self.this = this __swig_destroy__ = _core.delete_TraverseCallback __del__ = lambda self: None
[docs] def __call__(self, morph): return _core.TraverseCallback___call__(self, morph)
def __disown__(self): self.this.disown() _core.disown_TraverseCallback(self) return weakref_proxy(self)
TraverseCallback_swigregister = _core.TraverseCallback_swigregister TraverseCallback_swigregister(TraverseCallback) OP_ADD_ATOM = _core.OP_ADD_ATOM OP_REMOVE_ATOM = _core.OP_REMOVE_ATOM OP_ADD_BOND = _core.OP_ADD_BOND OP_REMOVE_BOND = _core.OP_REMOVE_BOND OP_MUTATE_ATOM = _core.OP_MUTATE_ATOM OP_INTERLAY_ATOM = _core.OP_INTERLAY_ATOM OP_BOND_REROUTE = _core.OP_BOND_REROUTE OP_BOND_CONTRACTION = _core.OP_BOND_CONTRACTION def ChemOperShortDesc(selector): return _core.ChemOperShortDesc(selector) ChemOperShortDesc = _core.ChemOperShortDesc def ChemOperLongDesc(selector): return _core.ChemOperLongDesc(selector) ChemOperLongDesc = _core.ChemOperLongDesc FP_ATOM_PAIRS = _core.FP_ATOM_PAIRS FP_MORGAN = _core.FP_MORGAN FP_TOPOLOGICAL = _core.FP_TOPOLOGICAL FP_TOPOLOGICAL_LAYERED_1 = _core.FP_TOPOLOGICAL_LAYERED_1 FP_TOPOLOGICAL_LAYERED_2 = _core.FP_TOPOLOGICAL_LAYERED_2 FP_VECTORFP = _core.FP_VECTORFP FP_TOPOLOGICAL_TORSION = _core.FP_TOPOLOGICAL_TORSION FP_EXT_ATOM_PAIRS = _core.FP_EXT_ATOM_PAIRS FP_EXT_MORGAN = _core.FP_EXT_MORGAN FP_EXT_TOPOLOGICAL = _core.FP_EXT_TOPOLOGICAL FP_EXT_TOPOLOGICAL_LAYERED_1 = _core.FP_EXT_TOPOLOGICAL_LAYERED_1 FP_EXT_TOPOLOGICAL_LAYERED_2 = _core.FP_EXT_TOPOLOGICAL_LAYERED_2 FP_EXT_TOPOLOGICAL_TORSION = _core.FP_EXT_TOPOLOGICAL_TORSION def FingerprintShortDesc(selector): return _core.FingerprintShortDesc(selector) FingerprintShortDesc = _core.FingerprintShortDesc def FingerprintLongDesc(selector): return _core.FingerprintLongDesc(selector) FingerprintLongDesc = _core.FingerprintLongDesc def FingerprintParse(name): return _core.FingerprintParse(name) FingerprintParse = _core.FingerprintParse SC_ALL_BIT = _core.SC_ALL_BIT SC_ASYMMETRIC = _core.SC_ASYMMETRIC SC_BRAUN_BLANQUET = _core.SC_BRAUN_BLANQUET SC_COSINE = _core.SC_COSINE SC_DICE = _core.SC_DICE SC_KULCZYNSKI = _core.SC_KULCZYNSKI SC_MC_CONNAUGHEY = _core.SC_MC_CONNAUGHEY SC_ON_BIT = _core.SC_ON_BIT SC_RUSSEL = _core.SC_RUSSEL SC_SOKAL = _core.SC_SOKAL SC_TANIMOTO = _core.SC_TANIMOTO SC_TVERSKY_SUBSTRUCTURE = _core.SC_TVERSKY_SUBSTRUCTURE SC_TVERSKY_SUPERSTRUCTURE = _core.SC_TVERSKY_SUPERSTRUCTURE def SimCoeffShortDesc(selector): return _core.SimCoeffShortDesc(selector) SimCoeffShortDesc = _core.SimCoeffShortDesc def SimCoeffLongDesc(selector): return _core.SimCoeffLongDesc(selector) SimCoeffLongDesc = _core.SimCoeffLongDesc def SimCoeffParse(name): return _core.SimCoeffParse(name) SimCoeffParse = _core.SimCoeffParse # This file is compatible with both classic and new-style classes.