atsim.potentials._modifiers
¶
Module Contents¶
Functions¶
modifier (func) |
|
is_modifier (obj) |
|
sum (potential_forms, potential_form_builder) |
Modifier that sums all the potential instances given as arguments. |
product (potential_forms, potential_form_builder) |
Modifier that takes the product of the potential instances given as arguments. |
pow (potential_forms, potential_form_builder) |
Modifier that takes two arguments and raises the first potential-form to the power of the second. |
spline (potential_forms, potential_form_builder) |
Modifier that smoothly splines between two potential forms by linking them with an intermediate spline. |
trans (potential_forms, potential_form_builder) |
Modifier that takes two arguments the first is a potential form and the second must be an |
-
atsim.potentials._modifiers.
sum
(potential_forms, potential_form_builder)[source]¶ Modifier that sums all the potential instances given as arguments.
Parameters: - potential_forms – List of tuples that can be passed to atsim.potentials.config._potential_form_builder.Potential_Form_Builder.create_potential_function() to create potential callables.
- potential_form_builder – atsim.potentials.config._potential_form_builder.Potential_Form_Builder used to create potential instances.
Returns: Potential callable sums that values from a number of potential instances.
-
atsim.potentials._modifiers.
product
(potential_forms, potential_form_builder)[source]¶ Modifier that takes the product of the potential instances given as arguments.
Parameters: - potential_forms – List of tuples that can be passed to atsim.potentials.config._potential_form_builder.Potential_Form_Builder.create_potential_function() to create potential callables.
- potential_form_builder – atsim.potentials.config._potential_form_builder.Potential_Form_Builder used to create potential instances.
Returns: Potential callable that takes the product of a number of potential instances.
-
atsim.potentials._modifiers.
pow
(potential_forms, potential_form_builder)[source]¶ Modifier that takes two arguments and raises the first potential-form to the power of the second.
e.g. pow(as.buck 1000.0 0.2 32.0, as.constant 2.0)
Would square the given Buckingham potential.Parameters: - potential_forms – List of tuples that can be passed to atsim.potentials.config._potential_form_builder.Potential_Form_Builder.create_potential_function() to create potential callables.
- potential_form_builder – atsim.potentials.config._potential_form_builder.Potential_Form_Builder used to create potential instances.
Returns: Potential callable that takes the product of a number of potential instances.
-
atsim.potentials._modifiers.
spline
(potential_forms, potential_form_builder)[source]¶ Modifier that smoothly splines between two potential forms by linking them with an intermediate spline.
The potential_forms list must contain a single PotentialFormInstanceTuple entre. The tuple must only define three sections - potential form A -> spline -> potential form B. The extent of the spline is defined by where the middle region starts and potential form B starts.
As a configuration string this might be defined as:
>0 as.zbl 14 8 >=0.8 exp_spline >=1.4 as.buck 180003 0.3 32.0
Which would create a zbl and Buckingham potential connected by a spline when r is between 0.8 and 1.4.
At present the potential form label for the spline must be exp_spline or buck4_spline.
Parameters: - potential_forms – List of tuples that can be passed to atsim.potentials.config._potential_form_builder.Potential_Form_Builder.create_potential_function() to create potential callables.
- potential_form_builder – atsim.potentials.config._potential_form_builder.Potential_Form_Builder used to create potential instances.
Returns: Potential callable representing splined potentials.
-
atsim.potentials._modifiers.
trans
(potential_forms, potential_form_builder)[source]¶ Modifier that takes two arguments the first is a potential form and the second must be an instance of as.constant. This modifier performs the operation:
potential_form(r+X)
where X is the value parameter for the as.constant argument.
e.g. trans(as.buck 1000.0 0.2 32.0, as.constant 2.0)
Parameters: - potential_forms – List of tuples that can be passed to atsim.potentials.config._potential_form_builder.Potential_Form_Builder.create_potential_function() to create potential callables.
- potential_form_builder – atsim.potentials.config._potential_form_builder.Potential_Form_Builder used to create potential instances.
Returns: Potential callable transforms the input to the potential-form.