# Path: openmmtools/utils.py
# def typename(atype):
#     """Convert a type object into a fully qualified typename.
# 
#     Parameters
#     ----------
#     atype : type
#         The type to convert
# 
#     Returns
#     -------
#     typename : str
#         The string typename.
# 
#     For example,
# 
#     >>> typename(type(1))
#     'int'
# 
#     >>> import numpy
#     >>> x = numpy.array([1,2,3], numpy.float32)
#     >>> typename(type(x))
#     'numpy.ndarray'
# 
#     """
#     if not isinstance(atype, type):
#         raise Exception('Argument is not a type')
# 
#     modulename = atype.__module__
#     typename = atype.__name__
# 
#     if modulename not in ['__builtin__', 'builtins']:
#         typename = modulename + '.' + typename
# 
#     return typename
# 
# def quantity_from_string(expression):
#     """Special call to the math_eval function designed to handle openmm.unit Quantity strings
# 
#     All the functions in the standard module math are available together with
#     most of the methods inside the openmm.unit module.
# 
#     Parameters
#     ----------
#     expression : str
#         The mathematical expression to rebuild a Quantityas a string.
# 
#     Returns
#     -------
#     Quantity
#         The result of the evaluated expression.
# 
#     Examples
#     --------
#     >>> expr = '4 * kilojoules / mole'
#     >>> quantity_from_string(expr)
#     Quantity(value=4.000000000000002, unit=kilojoule/mole)
# 
#     """
# 
#     # Supported functions, not defined in math.
#     functions = _VALID_UNIT_FUNCTIONS
# 
#     # Define the units from openmm.unit as the variables
#     variables = _VALID_UNITS
# 
#     # Eliminate nested quotes and excess whitespace
#     expression = expression.strip('\'" ')
# 
#     # Handle a special case of the unit when it is just "inverse unit", e.g. Hz == /second
#     if expression[0] == '/':
#         expression = '(' + expression[1:] + ')**(-1)'
# 
#     return math_eval(expression, variables=variables, functions=functions)


import os
import abc
import yaml
import warnings
import importlib
import collections
import numpy as np
import netCDF4 as nc
from sys import getsizeof
    from yaml import CLoader as Loader, CDumper as Dumper
    from yaml import Loader, Dumper
    from openmm import unit
    from simtk import unit
from ..utils import typename, quantity_from_string
    while iteration_chunk * data_size > max_memory and iteration_chunk > 1:
        iteration_chunk /= 2
    # Ceiling and int since np.ceil returns a float
    return int(np.ceil(iteration_chunk))


# =============================================================================
# REAL Codecs
# =============================================================================

# Generic codecs for non-compound data types: inf, float, string

class NCScalar(NCVariableCodec, ABC):

    """"
    This particular class is to minimize code duplication between some very basic data types such as int, str, float

    It is itself an abstract class and requires the following functions to be complete:
    dtype (@property)
    dtype_string (@staticmethod)
    """

    def _bind_write(self, data):
        try:
            self._bind_read()
        except KeyError:
            self._parent_driver.check_scalar_dimension()
            self._bound_target = self._storage_object.createVariable(self._target, self._on_disk_dtype,
                                                                     dimensions='scalar',
                                                                     chunksizes=(1,))

# Path: openmmtools/utils.py
# def typename(atype):
#     """Convert a type object into a fully qualified typename.
# 
#     Parameters
#     ----------
#     atype : type
#         The type to convert
# 
#     Returns
#     -------
#     typename : str
#         The string typename.
# 
#     For example,
# 
#     >>> typename(type(1))
#     'int'
# 
#     >>> import numpy
#     >>> x = numpy.array([1,2,3], numpy.float32)
#     >>> typename(type(x))
#     'numpy.ndarray'
# 
#     """
#     if not isinstance(atype, type):
#         raise Exception('Argument is not a type')
# 
#     modulename = atype.__module__
#     typename = atype.__name__
# 
#     if modulename not in ['__builtin__', 'builtins']:
#         typename = modulename + '.' + typename
# 
#     return typename
# 
# def quantity_from_string(expression):
#     """Special call to the math_eval function designed to handle openmm.unit Quantity strings
# 
#     All the functions in the standard module math are available together with
#     most of the methods inside the openmm.unit module.
# 
#     Parameters
#     ----------
#     expression : str
#         The mathematical expression to rebuild a Quantityas a string.
# 
#     Returns
#     -------
#     Quantity
#         The result of the evaluated expression.
# 
#     Examples
#     --------
#     >>> expr = '4 * kilojoules / mole'
#     >>> quantity_from_string(expr)
#     Quantity(value=4.000000000000002, unit=kilojoule/mole)
# 
#     """
# 
#     # Supported functions, not defined in math.
#     functions = _VALID_UNIT_FUNCTIONS
# 
#     # Define the units from openmm.unit as the variables
#     variables = _VALID_UNITS
# 
#     # Eliminate nested quotes and excess whitespace
#     expression = expression.strip('\'" ')
# 
#     # Handle a special case of the unit when it is just "inverse unit", e.g. Hz == /second
#     if expression[0] == '/':
#         expression = '(' + expression[1:] + ')**(-1)'
# 
#     return math_eval(expression, variables=variables, functions=functions)


# Path: openmmtools/storage/iodrivers.py
import os
import abc
import yaml
import warnings
import importlib
import collections
import numpy as np
import netCDF4 as nc
from sys import getsizeof
    from yaml import CLoader as Loader, CDumper as Dumper
    from yaml import Loader, Dumper
    from openmm import unit
    from simtk import unit
from ..utils import typename, quantity_from_string

    while iteration_chunk * data_size > max_memory and iteration_chunk > 1:
        iteration_chunk /= 2
    # Ceiling and int since np.ceil returns a float
    return int(np.ceil(iteration_chunk))


# =============================================================================
# REAL Codecs
# =============================================================================

# Generic codecs for non-compound data types: inf, float, string

class NCScalar(NCVariableCodec, ABC):

    """"
    This particular class is to minimize code duplication between some very basic data types such as int, str, float

    It is itself an abstract class and requires the following functions to be complete:
    dtype (@property)
    dtype_string (@staticmethod)
    """

    def _bind_write(self, data):
        try:
            self._bind_read()
        except KeyError:
            self._parent_driver.check_scalar_dimension()
            self._bound_target = self._storage_object.createVariable(self._target, self._on_disk_dtype,
                                                                     dimensions='scalar',
                                                                     chunksizes=(1,))

            self._common_bind_output_actions(typename(self.dtype), 0)