`materials` – Material data and simulation parameters¶

Inheritance diagram of penelopetools.api.input.penelope.materials

class penelopetools.api.input.penelope.materials.Element(symbol, fraction=1.0)¶

Bases: object

Constructor of an element. Once set the symbol cannot be changed.

Parameters:	symbol (`str`) – Symbol of the element (e.g. `'Fe'`) fraction (`float`) – weight fraction of the element between 0.0 and 1.0

ATTR_FRACTION = 'fraction'¶

ATTR_SYMBOL = 'symbol'¶

TAG_NAME = 'element'¶

atomicnumber¶: Atomic number of the symbol.

fraction¶: Weight fraction of the element between 0.0 and 1.0. The fraction can be set as a wildcard (see WILDCARD_FRACTION). The fraction will then be calculated based on all the defined elements.

classmethod from_xml(xmlelement)¶

Creates a Element from a XML element.

Parameters:	element – XML element

has_wildcard_fraction()¶: Returns whether the fraction is set as the WILDCARD_FRACTION.

massdensity¶: Mass density in g/cm3. The value is stored in a magnitude.Magnitude.

symbol¶: Symbol of the element.

to_html(header_level=1)¶: Returns a HTML representation of this option.

to_xml()¶: Returns a XML representation of this option.

class penelopetools.api.input.penelope.materials.Elements(data={})¶

Bases: dict, misctools.base.Validable

Store the elements and their weight fraction for a material in a dictionary.

The keys corresponds to the symbols and the values to the Element objects.

ATTR_USER_DENSITY = 'userDensity_g_cm3'¶

TAG_NAME = 'elements'¶

add(symbol, fraction=1.0)¶: Adds a new element by defining the symbol and fraction. If the symbol of the new object Element already exists, the new object will overwrite the previous one.

add_element(element)¶

Adds a new element from a Element object. If the symbol of the new object element already exists, the new object will overwrite the previous one.

Parameters:	element (`Element`) – element object

atomicfractions¶

Return a dictionary containing the atomic fraction of each symbol.

Return type:	`dict`

atomicnumbers_atomicfraction_list¶

Return a list of tuples containing the element’s atomic number and atomic fraction.

Return type:	`list`

atomicnumbers_weightfraction_list¶

Return a list of tuples containing the element’s atomic number and weight fraction.

Return type:	`list`

chemicalformula¶: Returns the chemical formula from these elements.

density¶

Returns the density in g per cm3. If a user density is defined, it is return. If not, the mean mass density is calculated.

The value is stored in a magnitude.Magnitude.

equivalent(other, precision=8)¶

Compares two elements using weight fractions (regardless if they: were defined using atomic or weight fractions)

Parameters:	precision – precision of the comparison ( $self = other \pm 10^{-precision}$ )

static from_chemicalformula(formula)¶

Create a Elements from a chemical formula (e.g. 'AlB2Zr5').

static from_symbol(symbol)¶

Creates a Elements from a single element. The fraction is set to 1.0.

Parameters:	symbol – symbol of the element.

static from_symbol_weightfraction_list(symbol_weightfraction_list)¶

Creates a Elements from a list of (symbol, weightFraction).

Parameters:	symbol_weightfraction_list (`list`) – list of tuple containing the symbol and weight fraction

classmethod from_xml(xmlelement)¶

Creates a Elements from a XML element.

Parameters:	element – XML element

has_userdensity()¶

has_wildcard_fraction()¶: Returns whether one of the element has a wildcard fraction.

mean_massdensity¶

Returns the mean mass density in g per cm3: $\overline{\rho} = \sum_{i}^{N} \rho_{i} \cdot f_{i}^{w}$

The value is stored in a magnitude.Magnitude.

setdefault(k)¶: Not implemented.

symbol_atomicfraction_list¶

Return a list of tuples containing the element’s symbol and atomic fraction.

Return type:	`list`

symbol_weightfraction_list¶

Return a list of tuples containing the element’s symbol and weight fraction.

Return type:	`list`

to_html(header_level=1)¶: Returns a HTML representation of this option.

to_xml()¶: Returns a XML representation of this option.

totalfraction¶

Returns the total fraction of all the elements

Return type:	`float`

update(E, **F)¶: Not implemented.

userdensity¶

The user defined density in g per cm3. None is returned if no density is defined. If the attribute is deleted, the user defined density is ignored and the calculated density from the elements if used.

The value is stored in a magnitude.Magnitude.

validate()¶: Validates the elements. At least one element must be defined, and the total fraction must be equal to 1.0. Raises ValueError

weightfractions¶

Return a dictionary containing the weight fraction of each symbol.

Return type:	`dict`

class penelopetools.api.input.penelope.materials.Material(name=None, filename=None, elements=None, simulation_parameters=None)¶

Bases: misctools.base.Validable

Constructor of an material. The material contains the elements and simulation parameters associated with the material.

Parameters:	name – name of the material filename – filename of the material elements – elements simulation_parameters (`SimulationParameters`) – simulation parameters

ATTR_FILENAME = 'filename'¶

ATTR_NAME = 'name'¶

KEYWORD = <penelopetools.api.input.penelope.util.Keyword object at 0x5537050>¶

TAG_NAME = 'material'¶

elements¶: Elements of the material.

filename¶: Filename of the material file.

classmethod from_inputfile(lines)¶

Creates a Material from lines of a IN file.

Parameters:	lines – lines

classmethod from_xml(element)¶

Creates a Material from a XML element.

Parameters:	element – XML element

has_filename()¶

has_name()¶

name¶: Name of the material.

simulation_parameters¶: Simulation parameters associated with the material.

to_html(header_level=1)¶: Returns a HTML representation of this option.

to_inputfile()¶: Returns the lines of this option to create a IN file.

to_xml()¶: Returns a XML representation of this option.

validate()¶

class penelopetools.api.input.penelope.materials.Materials(data={})¶

Bases: dict, penelopetools.api.input.penelope.option.Option

Store the materials of a simulation job.

Each material is given an id representing its unique address in memory. This is referred as the id of the material. The number of material is controlled not to exceed the limits. The index represents the integer representing each material in PENELOPE.

ATTR_ID = 'id'¶

TAG_NAME = 'materials'¶

add(material, userid=None)¶

Adds a material and returns its id. Raises MaximumMaterialsError if the number of materials exceeds the maximum number allowed by PENELOPE.

Parameters:	material (`Material`) – material to add userid – id to assign to the material. If the id is `None`, an automatic id is generated.

add_multiple(*materials)¶: Adds multiple material. An id is automatically assigned to each of them. A tuple of the ids for materials is returned. Raises MaximumMaterialsError if the number of materials exceeds the maximum number allowed by PENELOPE.

apply_simulation_parameters(params)¶

Sets the simulation parameters to all the materials.

Parameters:	params (`SimulationParameters`) – simulation parameters

clear()¶: Removes all the materials (except the vacuum).

classmethod from_inputfile(lines)¶

Creates a Materials from lines of a IN file.

Parameters:	lines – lines

classmethod from_xml(root)¶

Creates a Materials from a XML element.

Parameters:	element – XML element

id_index_dict¶: Returns a list linking the id to the index for PENELOPE. The Vacuum material is add to the list. It’s id and index are both equal to 0. The first index is equal to 1.

Note

This list is dynamic and will changing depending on the materials added. In other words, the index for a particular id is not static.

pop(k, d=None)¶: Removes a material.

setdefault(k)¶: Not implemented.

to_html(header_level=1)¶: Returns a HTML representation of this option.

to_inputfile()¶: Returns the lines of this option to create a IN file.

to_xml()¶: Returns a XML representation of this option.

update(E, **F)¶: Not implemented.

validate()¶: Validates every material and checks that at least one material is defined. Raises ValueError.

values_novacuum()¶

Returns the materials without the vacuum.

Return type:	`list`

exception penelopetools.api.input.penelope.materials.MaximumMaterialsError(value)¶

Bases: exceptions.Exception

Exception raised when trying to add a material passed the maximum.

class penelopetools.api.input.penelope.materials.SimulationParameters(absorption_energy_electron=50, absorption_energy_photon=50, absorption_energy_positron=50, elastic_scattering_parameter_c1=0.1, elastic_scattering_parameter_c2=0.1, cutoff_energyloss_inelasticcollisions=50, cutoff_energyloss_bremsstrahlungemission=50)¶

Bases: object

Store the simulation parameters for a given material.

Parameters:

Parameters:	absorption_energy_electron – absorption energy of the electrons (eV) absorption_energy_photon – absorption energy of the photons (eV) absorption_energy_positron – absorption energy of the positrons (eV) elastic_scattering_parameter_c1 – elastic scattering parameter C1 elastic_scattering_parameter_c2 – elastic scattering parameter C2 cutoff_energyloss_inelasticcollisions – cutoff energy loss for inelastic collisions (eV) cutoff_energyloss_bremsstrahlungemission – cutoff energy loss for bremsstrahlung emission (eV)

absorption_energy_electron – absorption energy of the electrons (eV)
absorption_energy_photon – absorption energy of the photons (eV)
absorption_energy_positron – absorption energy of the positrons (eV)
elastic_scattering_parameter_c1 – elastic scattering parameter C1
elastic_scattering_parameter_c2 – elastic scattering parameter C2
cutoff_energyloss_inelasticcollisions – cutoff energy loss for inelastic collisions (eV)
cutoff_energyloss_bremsstrahlungemission – cutoff energy loss for bremsstrahlung emission (eV)

ATTR_ABS_EL = 'absorptionEnergyElectron_eV'¶

ATTR_ABS_PH = 'absorptionEnergyPhoton_eV'¶

ATTR_ABS_PO = 'absorptionEnergyPositron_eV'¶

ATTR_C1 = 'elasticScatteringParameter_C1'¶

ATTR_C2 = 'elasticScatteringParameter_C2'¶

ATTR_WCC = 'cutoffEnergyLossInelasticCollisions_eV'¶

ATTR_WCR = 'cutoffEnergyLossBremsstrahlungEmission_eV'¶

KEYWORD = <penelopetools.api.input.penelope.util.Keyword object at 0x55376d0>¶

TAG_NAME = 'simulationParameters'¶

absorption_energy_electron¶: Absorption energy of the electrons. Below this energy, electrons are no longer simulated. The energy must be between 50 and 1e6 eV. The value is stored in a magnitude.Magnitude.

absorption_energy_photon¶: Absorption energy of the photons. Below this energy, photons are no longer simulated. The energy must be between 50 and 1e6 eV. The value is stored in a magnitude.Magnitude.

absorption_energy_positron¶: Absorption energy of the positrons. Below this energy, positrons are no longer simulated. The energy must be between 50 and 1e6 eV. The value is stored in a magnitude.Magnitude.

cutoff_energyloss_bremsstrahlungemission¶: Cutoff energy loss for bremsstrahlung emission. The energy must be between 50 and 1e6 eV. The value is stored in a magnitude.Magnitude.

cutoff_energyloss_inelasticcollisions¶: Cutoff energy loss for inelastic collisions. The energy must be between 50 and 1e6 eV. The value is stored in a magnitude.Magnitude.

elastic_scattering_parameter_c1¶: Elastic scattering parameter C1. The value must be between 0.0 and 0.2. The value is stored in a magnitude.Magnitude.

elastic_scattering_parameter_c2¶: Elastic scattering parameter C2. The value must be between 0.0 and 0.2. The value is stored in a magnitude.Magnitude.

classmethod from_inputfile(lines)¶

Creates a SimulationParameters from lines of a IN file.

Parameters:	lines – lines

classmethod from_xml(element)¶

Creates a SimulationParameters from a XML element.

Parameters:	element – XML element

to_html(header_level=1)¶: Returns a HTML representation of this option.

to_inputfile()¶: Returns the lines of this option to create a IN file.

to_xml()¶: Returns a XML representation of this option.

class penelopetools.api.input.penelope.materials.Vacuum¶

Bases: penelopetools.api.input.penelope.materials.Material

Material representing the vacuum.

materials – Material data and simulation parameters¶

`materials` – Material data and simulation parameters¶