Merge pull request #136 from ukaea/changing_multimaterial_json

Changing multimaterial json

README.md

@@ -22,7 +22,7 @@ temperature and pressure.
 
 :point_right: [Documentation](https://neutronics-material-maker.readthedocs.io/en/latest/)
 
-:point_right: [Video presentation](https://www.youtube.com/watch?v=V-VHLwRar9s)
+:point_right: [Video presentation]()
 
 ## Installation
 
@@ -106,17 +106,17 @@ my_mat2.openmc_material
 ```
 
 
-## Usage - MultiMaterial (Mixed Materials))
+## Usage - Material.from_mixture
 
-Materials can also be mixed together using the MultiMaterial class. This
+Materials can also be mixed together using the from_mixture method. This
 accepts a list of ```neutronics_material_maker.Materials``` or 
 ```openmc.Material``` objects along with the material fractions (fracs).
 
 ```python
 import neutronics_material_maker as nmm
-my_mat1 = nmm.Material('Li4SiO4', packing_fraction=0.64)
-my_mat2 = nmm.Material('Be12Ti')
-my_mat3 = MultiMaterial(materials=[my_mat1, my_mat2],
+my_mat1 = nmm.Material.from_library(name='Li4SiO4', packing_fraction=0.64)
+my_mat2 = nmm.Material.from_library(name='Be12Ti')
+my_mat3 = nmm.Material.from_mixture(materials=[my_mat1, my_mat2],
                         fracs=[0.4, 0.6],
                         percent_type='vo')
 my_mat3.openmc_material

docs/source/conf.py

@@ -20,7 +20,7 @@
 # -- Project information -----------------------------------------------------
 
 project = "NeutronicsMaterialMaker"
-copyright = "2020, UKAEA and neutronics-material-maker contributors"
+copyright = "2020-2021 neutronics-material-maker contributors"
 author = "neutronics-material-maker development team"
 
 # The short X.Y version
@@ -133,7 +133,7 @@
         master_doc,
         "NeutronicsMaterialMaker.tex",
         "NeutronicsMaterialMaker Documentation",
-        "John Billingsley",
+        "Neutronics material maker contributors",
         "manual",
     )
 ]

docs/source/example_material.rst

@@ -1,103 +1,7 @@
 Example Material() usage
 ========================
 
-Usage - basic Material()
-------------------------
-
-Here is an example that accesses a material from the internal collection called eurofer which has about 60 isotopes and a density of 7.78g/cm3.
-
-.. code-block:: python
-
-   import neutronics_material_maker as nmm
-
-   my_mat = nmm.Material('eurofer')
-
-Once the object has been initiated the OpenMC or Serpent material card can be accessed.
-
-.. code-block:: python
-
-   my_mat.openmc_material
-   my_mat.serpent_material
-
-To access MCNP material it is necessary to also provide an id.
-
-.. code-block:: python
-
-   my_mat = nmm.Material('eurofer', material_id=1)
-   my_mat.mcnp_material
-
-To access the Fispact material it is necessary to also provide a volume.
-
-.. code-block:: python
-
-   my_mat = nmm.Material('eurofer', volume_in_cm3=10)
-   my_mat.fispact_material
-
-To access the Shift material it is necessary to also provide a temperature and
-a material id
-
-.. code-block:: python
-
-   my_mat = nmm.Material('eurofer', temperature=293, material_id=1)
-   my_mat.shift_material
-
-
-Usage - hot pressurised  Material()
------------------------------------
-
-For several materials within the collection the temperature and the pressure impacts the density of the material. The neutronics_material_maker adjusts the density to take temperature (in C or K) and the pressure into account when appropriate. Densities are calculated either by a material specific formula (for example `FLiBe <https://github.com/ukaea/neutronics_material_maker/blob/openmc_version/neutronics_material_maker/data/multiplier_and_breeder_materials.json>`_) or using `CoolProps <https://pypi.org/project/CoolProp/>`_ (for example coolants such as H2O).
-
-.. code-block:: python
-
-    import neutronics_material_maker as nmm
-
-    my_mat1 = nmm.Material('H2O', temperature=300, pressure=15e6)
-
-    my_mat1.openmc_material
-
-Temperature can be provided in degrees C or Kelvin.
-
-.. code-block:: python
-
-    import neutronics_material_maker as nmm
-
-    my_mat1 = nmm.Material('H2O', temperature=573.15, pressure=15e6)
-
-    my_mat1.openmc_material
-
-The temperature is automatically sent to the openmc_material and
-serpent_material cards. However if this causes difficulties for you (perhaps
-due to not having cross sections at that temperature) this automatic propagate
-of temperature information can be disabled by setting the 
-temperature_to_neutronics_code to False.
-
-
-Usage - enriched Material()
----------------------------
-
-For several materials within the collection the density is adjusted when the material is enriched. For breeder blankets in fusion it is common to enrich the lithium 6 content.
-
-Lithium ceramics used in fusion breeder blankets often contain enriched lithium-6 content. This slight change in density is accounted for by the neutronics_material_maker.
-
-.. code-block:: python
-
-    import neutronics_material_maker as nmm
-
-    my_mat2 = nmm.Material('Li4SiO4', enrichment=60)
-
-    my_mat2.openmc_material
-
-
-The default enrichment target for 'Li4SiO4' is Li6 but this can be changed if required.
-
-.. code-block:: python
-
-    import neutronics_material_maker as nmm
-
-    my_mat2 = nmm.Material('Li4SiO4', enrichment_target='Li7', enrichment=40)
-
-    my_mat2.openmc_material
-
+While the internal data bases contain 
 
 Usage - make a your own materials
 ---------------------------------
@@ -154,7 +58,8 @@ Example making materials from isotopes defined by zaid
         }
     )
 
-It is also possible to make your own materials directly from a dictionary by making use of the python syntax **
+It is also possible to make your own materials directly from a dictionary by
+making use of the python syntax to exspand a dictionary **
 
 .. code-block:: python
 
@@ -172,54 +77,3 @@ It is also possible to make your own materials directly from a dictionary by mak
     }
 
     my_mat = nmm.Material(**my_dict)
-
-Usage - adding extra lines to a material card
----------------------------------------------
-
-If you require additional lines at the end of the MCNP, Serpent, Fispact or
-Shift materia card then the additional_end_lines argument can be used. This
-will add specific line(s) to the end of a material card. Multiple lines can be
-added by creating a list with multiple entries.
-
-In this example and additional line can be added to allow the S(α,β) treatment
-of water to be correctly modeled in MCNP. But this could also be used to add
-comments to the material card or other text at the end of the material card
-string.
-
-.. code-block:: python
-
-    import neutronics_material_maker as nmm
-
-    my_mat2 = nmm.Material(
-        'H2O',
-        material_id=24,
-        temperature=573.15,
-        pressure=15e6,
-        additional_end_lines={'mcnp': ['      mt24 lwtr.01']}
-    )
-
-    print(my_mat2.mcnp_material)
-
-The above code will return a MCNP material card string with the additional line
-'      mt24 lwtr.01' at the end. Notice that spaces should also be set by the
-user.
-
-.. code-block:: bash
-
-    c     H2O density 7.25553605e-01 g/cm3
-    M24   001001  6.66562840e-01
-          001002  1.03826667e-04
-          008016  3.32540200e-01
-          008017  1.26333333e-04
-          008018  6.66800000e-04
-          mt24 lwtr.01
-
-It is also possible to specifiy this additional line in a JSON file and
-then read in the file and export the material. The additional end lines can
-also support different outputs for different codes and multiple lines being
-appended to the material card as demonstrated in this video on the feature.
-
-.. raw:: html
-
-    <iframe width="560" height="315" src="https://www.youtube.com/embed/YLcMkQGOeJE" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture" allowfullscreen></iframe>
-