Item

base class of the molpy

properties property readonly

return properties

Returns:

Type	Description
dict	key-value format

uuid property readonly

uuid is the ID assigned by the system is used to distinguish different instances

Returns:

Type	Description
int	uuid

__init__(self, name='') special

initialize base class

Parameters:

Name	Type	Description	Default
name	str	the name of instances	''

Source code in molpy/item.py

def __init__(self, name='') -> None:
    """initialize base class

    Args:
        name (str): the name of instances
    """
    self._uuid = id(self)
    self._name = name
    self._container = []
    self._itemType = self.__class__.__name__

check_properties(self, **props)

a method to check if the instances has method required properties before method is execute For example, if move() method need to check item.position, then add this at the first ...: def move(self, x, y, z): ...: self.check_properties(position='required')

Exceptions:

Type	Description
AttributeError	WHEN no required properties
TypeError	WHEN required property has wrong type

Source code in molpy/item.py

def check_properties(self, **props):
    """ a method to check if the instances has method required properties before method is execute
    For example, if move() method need to check item.position, then add this at the first
    ...: def move(self, x, y, z):
    ...:     self.check_properties(position='required')

    Raises:
        AttributeError: WHEN no required properties
        TypeError: WHEN required property has wrong type
    """
    for k,v in props.items():
        kv = getattr(self, k, None)
        if kv is None:
            AttributeError(f'this method requires {self} has property {k}')
        else:
            if isinstance(kv, v):
                continue
            else:
                raise TypeError(f'requires {k} is {v} but {type(kv)}')

get(self, property, default=None)

get a property, equivalent to getattr()

Parameters:

Name	Type	Description	Default
property	str	name of property	required
default	Any	default to None	None

Returns:

Type	Description
Any	property of this instance

Source code in molpy/item.py

def get(self, property, default=None):
    """get a property, equivalent to getattr()

    Args:
        property (str): name of property
        default (Any): default to None

    Returns:
        Any: property of this instance
    """
    return getattr(self, property, default)

set(self, property, value)

set a property, equivalent to setattr()

Parameters:

Name	Type	Description	Default
property	str	name of property	required
value	Any	value of property	required

Source code in molpy/item.py

def set(self, property, value):
    """set a property, equivalent to setattr()

    Args:
        property (str): name of property
        value (Any): value of property
    """
    setattr(self, property, value)