mpi/__init__.py

# This file was automatically generated by SWIG (https://www.swig.org).
# Version 4.5.1
#
# Do not make changes to this file unless you know what you are doing - modify
# the SWIG interface file instead.


# This wrapper is part of IMP,
# Copyright 2007-2026 IMP Inventors. All rights reserved.



import os
if 'IMP_NO_MPI' in os.environ:
    raise ImportError(
        "IMP.mpi module disabled by IMP_NO_MPI environment variable")



import typing
import _IMP_mpi

import builtins as __builtin__

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_instance_variable(set):
    def set_instance_attr(self, name, value):
        if name == "this":
            set(self, name, value)
        elif name == "thisown":
            self.this.own(value)
        elif hasattr(self, name) and isinstance(getattr(type(self), name), property):
            set(self, name, value)
        else:
            raise AttributeError("You cannot add instance attributes to %s" % self)
    return set_instance_attr


def _swig_setattr_nondynamic_class_variable(set):
    def set_class_attr(cls, name, value):
        if hasattr(cls, name) and not isinstance(getattr(cls, name), property):
            set(cls, name, value)
        else:
            raise AttributeError("You cannot add class attributes to %s" % cls)
    return set_class_attr


class _SwigNonDynamicMeta(type):
    """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
    __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)


import weakref

class IMP_MPI_SwigPyIterator(object):
    r"""Proxy of C++ swig::IMP_MPI_SwigPyIterator class."""

    thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")

    def __init__(self, *args, **kwargs):
        raise AttributeError("No constructor defined - class is abstract")
    __repr__ = _swig_repr
    __swig_destroy__ = _IMP_mpi.delete_IMP_MPI_SwigPyIterator

    def value(self):
        r"""value(IMP_MPI_SwigPyIterator self) -> PyObject *"""
        return _IMP_mpi.IMP_MPI_SwigPyIterator_value(self)

    def incr(self, n=1):
        r"""incr(IMP_MPI_SwigPyIterator self, size_t n=1) -> IMP_MPI_SwigPyIterator"""
        return _IMP_mpi.IMP_MPI_SwigPyIterator_incr(self, n)

    def decr(self, n=1):
        r"""decr(IMP_MPI_SwigPyIterator self, size_t n=1) -> IMP_MPI_SwigPyIterator"""
        return _IMP_mpi.IMP_MPI_SwigPyIterator_decr(self, n)

    def distance(self, x):
        r"""distance(IMP_MPI_SwigPyIterator self, IMP_MPI_SwigPyIterator x) -> ptrdiff_t"""
        return _IMP_mpi.IMP_MPI_SwigPyIterator_distance(self, x)

    def equal(self, x):
        r"""equal(IMP_MPI_SwigPyIterator self, IMP_MPI_SwigPyIterator x) -> bool"""
        return _IMP_mpi.IMP_MPI_SwigPyIterator_equal(self, x)

    def copy(self):
        r"""copy(IMP_MPI_SwigPyIterator self) -> IMP_MPI_SwigPyIterator"""
        return _IMP_mpi.IMP_MPI_SwigPyIterator_copy(self)

    def __next__(self):
        r"""__next__(IMP_MPI_SwigPyIterator self) -> PyObject *"""
        return _IMP_mpi.IMP_MPI_SwigPyIterator___next__(self)

    def previous(self):
        r"""previous(IMP_MPI_SwigPyIterator self) -> PyObject *"""
        return _IMP_mpi.IMP_MPI_SwigPyIterator_previous(self)

    def advance(self, n):
        r"""advance(IMP_MPI_SwigPyIterator self, ptrdiff_t n) -> IMP_MPI_SwigPyIterator"""
        return _IMP_mpi.IMP_MPI_SwigPyIterator_advance(self, n)

    def __eq__(self, x):
        r"""__eq__(IMP_MPI_SwigPyIterator self, IMP_MPI_SwigPyIterator x) -> bool"""
        return _IMP_mpi.IMP_MPI_SwigPyIterator___eq__(self, x)

    def __ne__(self, x):
        r"""__ne__(IMP_MPI_SwigPyIterator self, IMP_MPI_SwigPyIterator x) -> bool"""
        return _IMP_mpi.IMP_MPI_SwigPyIterator___ne__(self, x)

    def __iadd__(self, n):
        r"""__iadd__(IMP_MPI_SwigPyIterator self, ptrdiff_t n) -> IMP_MPI_SwigPyIterator"""
        return _IMP_mpi.IMP_MPI_SwigPyIterator___iadd__(self, n)

    def __isub__(self, n):
        r"""__isub__(IMP_MPI_SwigPyIterator self, ptrdiff_t n) -> IMP_MPI_SwigPyIterator"""
        return _IMP_mpi.IMP_MPI_SwigPyIterator___isub__(self, n)

    def __add__(self, n):
        r"""__add__(IMP_MPI_SwigPyIterator self, ptrdiff_t n) -> IMP_MPI_SwigPyIterator"""
        return _IMP_mpi.IMP_MPI_SwigPyIterator___add__(self, n)

    def __sub__(self, *args):
        r"""
        __sub__(IMP_MPI_SwigPyIterator self, ptrdiff_t n) -> IMP_MPI_SwigPyIterator
        __sub__(IMP_MPI_SwigPyIterator self, IMP_MPI_SwigPyIterator x) -> ptrdiff_t
        """
        return _IMP_mpi.IMP_MPI_SwigPyIterator___sub__(self, *args)
    def __iter__(self):
        return self

# Register IMP_MPI_SwigPyIterator in _IMP_mpi:
_IMP_mpi.IMP_MPI_SwigPyIterator_swigregister(IMP_MPI_SwigPyIterator)

_value_types=[]
_object_types=[]
_raii_types=[]
_plural_types=[]

IMP_DEBUG = _IMP_mpi.IMP_DEBUG

IMP_RELEASE = _IMP_mpi.IMP_RELEASE

IMP_SILENT = _IMP_mpi.IMP_SILENT

IMP_PROGRESS = _IMP_mpi.IMP_PROGRESS

IMP_TERSE = _IMP_mpi.IMP_TERSE

IMP_VERBOSE = _IMP_mpi.IMP_VERBOSE

IMP_MEMORY = _IMP_mpi.IMP_MEMORY

IMP_NONE = _IMP_mpi.IMP_NONE

IMP_USAGE = _IMP_mpi.IMP_USAGE

IMP_INTERNAL = _IMP_mpi.IMP_INTERNAL

IMP_KERNEL_HAS_LOG4CXX = _IMP_mpi.IMP_KERNEL_HAS_LOG4CXX

IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_mpi.IMP_COMPILER_HAS_CEREAL_RAW_POINTER

IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_mpi.IMP_COMPILER_HAS_DEBUG_VECTOR

IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_mpi.IMP_COMPILER_HAS_RANDOM_SHUFFLE

IMP_COMPILER_HAS_THREE_WAY = _IMP_mpi.IMP_COMPILER_HAS_THREE_WAY

IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_mpi.IMP_KERNEL_HAS_BOOST_RANDOM

IMP_KERNEL_HAS_NUMPY = _IMP_mpi.IMP_KERNEL_HAS_NUMPY

IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_mpi.IMP_KERNEL_HAS_BOOST_SYSTEM

IMP_KERNEL_HAS_GPERFTOOLS = _IMP_mpi.IMP_KERNEL_HAS_GPERFTOOLS

IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_mpi.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER

IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_mpi.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER

IMPKERNEL_SHOW_WARNINGS = _IMP_mpi.IMPKERNEL_SHOW_WARNINGS


import sys
class _DirectorObjects:
    """@internal Simple class to keep references to director objects
       to prevent premature deletion."""
    def __init__(self):
        self._objects = []
    def register(self, obj):
        """Take a reference to a director object; will only work for
           refcounted C++ classes"""
        if hasattr(obj, 'get_ref_count'):
            self._objects.append(obj)
    def cleanup(self):
        """Only drop our reference and allow cleanup by Python if no other
           Python references exist (we hold 3 references: one in self._objects,
           one in x, and one in the argument list for getrefcount) *and* no
           other C++ references exist (the Python object always holds one)"""
        objs = [x for x in self._objects if sys.getrefcount(x) > 3 \
                                         or x.get_ref_count() > 1]
# Do in two steps so the references are kept until the end of the
# function (deleting references may trigger a fresh call to this method)
        self._objects = objs
    def get_object_count(self):
        """Get number of director objects (useful for testing only)"""
        return len(self._objects)
_director_objects = _DirectorObjects()

class _ostream(object):
    r"""Proxy of C++ std::ostream class."""

    thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")

    def __init__(self, *args, **kwargs):
        raise AttributeError("No constructor defined")
    __repr__ = _swig_repr

    def write(self, osa_buf):
        r"""write(_ostream self, char const * osa_buf)"""
        return _IMP_mpi._ostream_write(self, osa_buf)

# Register _ostream in _IMP_mpi:
_IMP_mpi._ostream_swigregister(_ostream)
IMP_C_OPEN_BINARY = _IMP_mpi.IMP_C_OPEN_BINARY

import IMP
IMP_MPI_HAS_BOOST_FILESYSTEM = _IMP_mpi.IMP_MPI_HAS_BOOST_FILESYSTEM

IMP_MPI_HAS_BOOST_PROGRAMOPTIONS = _IMP_mpi.IMP_MPI_HAS_BOOST_PROGRAMOPTIONS

IMP_MPI_HAS_BOOST_RANDOM = _IMP_mpi.IMP_MPI_HAS_BOOST_RANDOM

IMP_MPI_HAS_NUMPY = _IMP_mpi.IMP_MPI_HAS_NUMPY

IMPMPI_SHOW_WARNINGS = _IMP_mpi.IMPMPI_SHOW_WARNINGS


_object_types.append("ReplicaExchange")


def _object_cast_to_ReplicaExchange(o):
    r"""_object_cast_to_ReplicaExchange(Object o) -> ReplicaExchange"""
    return _IMP_mpi._object_cast_to_ReplicaExchange(o)
class ReplicaExchange(IMP.Object):
    r"""Proxy of C++ IMP::mpi::ReplicaExchange class."""

    thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")

    def __init__(self):
        r"""__init__(ReplicaExchange self) -> ReplicaExchange"""
        _IMP_mpi.ReplicaExchange_swiginit(self, _IMP_mpi.new_ReplicaExchange())

    def set_my_parameter(self, key, values):
        r"""set_my_parameter(ReplicaExchange self, std::string key, IMP::Floats values)"""
        return _IMP_mpi.ReplicaExchange_set_my_parameter(self, key, values)

    def get_my_parameter(self, key):
        r"""get_my_parameter(ReplicaExchange self, std::string key) -> IMP::Floats"""
        return _IMP_mpi.ReplicaExchange_get_my_parameter(self, key)

    def get_friend_index(self, istep):
        r"""get_friend_index(ReplicaExchange self, int istep) -> int"""
        return _IMP_mpi.ReplicaExchange_get_friend_index(self, istep)

    def get_exchange_array(self):
        r"""get_exchange_array(ReplicaExchange self) -> IMP::Ints"""
        return _IMP_mpi.ReplicaExchange_get_exchange_array(self)

    def get_friend_parameter(self, key, findex):
        r"""get_friend_parameter(ReplicaExchange self, std::string key, int findex) -> IMP::Floats"""
        return _IMP_mpi.ReplicaExchange_get_friend_parameter(self, key, findex)

    def do_exchange(self, myscore0, myscore1, findex):
        r"""do_exchange(ReplicaExchange self, double myscore0, double myscore1, int findex) -> bool"""
        return _IMP_mpi.ReplicaExchange_do_exchange(self, myscore0, myscore1, findex)

    def create_temperatures(self, tmin, tmax, nrep):
        r"""create_temperatures(ReplicaExchange self, double tmin, double tmax, int nrep) -> IMP::Floats"""
        return _IMP_mpi.ReplicaExchange_create_temperatures(self, tmin, tmax, nrep)

    def get_my_index(self):
        r"""get_my_index(ReplicaExchange self) -> int"""
        return _IMP_mpi.ReplicaExchange_get_my_index(self)

    def get_number_of_replicas(self):
        r"""get_number_of_replicas(ReplicaExchange self) -> int"""
        return _IMP_mpi.ReplicaExchange_get_number_of_replicas(self)

    def get_version_info(self):
        r"""get_version_info(ReplicaExchange self) -> VersionInfo"""
        return _IMP_mpi.ReplicaExchange_get_version_info(self)
    __swig_destroy__ = _IMP_mpi.delete_ReplicaExchange

    def __str__(self):
        r"""__str__(ReplicaExchange self) -> std::string"""
        return _IMP_mpi.ReplicaExchange___str__(self)

    def __repr__(self):
        r"""__repr__(ReplicaExchange self) -> std::string"""
        return _IMP_mpi.ReplicaExchange___repr__(self)

    @staticmethod
    def get_from(o):
       return _object_cast_to_ReplicaExchange(o)


    def _get_as_binary(self):
        r"""_get_as_binary(ReplicaExchange self) -> PyObject *"""
        return _IMP_mpi.ReplicaExchange__get_as_binary(self)

    def _set_from_binary(self, p):
        r"""_set_from_binary(ReplicaExchange self, PyObject * p)"""
        return _IMP_mpi.ReplicaExchange__set_from_binary(self, p)

    def __getstate__(self):
        p = self._get_as_binary()
        if len(self.__dict__) > 1:
            d = self.__dict__.copy()
            del d['this']
            p = (d, p)
        return p

    def __setstate__(self, p):
        if not hasattr(self, 'this'):
            self.__init__()
        if isinstance(p, tuple):
            d, p = p
            self.__dict__.update(d)
        return self._set_from_binary(p)


# Register ReplicaExchange in _IMP_mpi:
_IMP_mpi.ReplicaExchange_swigregister(ReplicaExchange)

def get_module_name():
    r"""get_module_name() -> std::string const"""
    return _IMP_mpi.get_module_name()

def get_module_version():
    r"""get_module_version() -> std::string const"""
    return _IMP_mpi.get_module_version()

def get_example_path(fname):
    r"""get_example_path(std::string fname) -> std::string"""
    return _IMP_mpi.get_example_path(fname)

def get_data_path(fname):
    r"""get_data_path(std::string fname) -> std::string"""
    return _IMP_mpi.get_data_path(fname)

from . import _version_check
_version_check.check_version(get_module_version())
__version__ = get_module_version()