The TEMUL Toolkit can be installed easily with PIP (those using Windows may need to download VS C++ Build Tools, see below).
$ pip install temul-toolkit
Then, it can be imported with the name “temul”. For example, to import most of the temul functionality use:
import temul.api as tml
Installation Problems & Notes
If installing on Windows, you will need Visual Studio C++ Build Tools. Download it here. After downloading, choose the “C++ Build Tools” Workload and click install.
If you want to use the
temul.io.write_cif_from_dataframe()function, you will need to install pyCifRW version 4.3. This requires Visual Studio.
If you wish to use the
temul.model_refinermodules, you will need to install PyPrismatic. This requires Visual Studio and other dependencies. It is unfortunately not guaranteed to work. If you want to help develop the
temul.model_refiner.Model_Refiner, please create an issue and/or a pull request on the TEMUL github.
If you’re using any of the functions or classes that require element quantification:
navigate to the “temul/external” directory, copy the “atomap_devel_012” folder and paste that in your “site-packages” directory.
Then, when using atomap to create sublattices and quantify elements call atomap like this:
import atomap_devel_012.api as am.
This development version is slowly being folded into the master branch here: https://gitlab.com/atomap/atomap/-/issues/93 and any help or tips on implementation are welcome!