GEMS-T0005-Test GEMS3K Export

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Introduction

The GEMS3K export functionality is a crucial aspect of the GEMS (Groundwater Evaluation and Modeling System) software, allowing users to export chemical systems in various formats. In this test, we aim to verify that all options for GEMS3K export work seamlessly in xGEMS, a user-friendly interface for GEMS. This comprehensive test will cover the export of lookup arrays P and T, utilizing the CalcDolo, PitzerTHE, and CASHNK test projects. Additionally, we will create a folder in the GEMSGUI repository containing various cases of exported systems, which will be downloadable and runnable in xgems CI.

Test Objectives

  1. Verify that all options for GEMS3K export work correctly in xGEMS.
  2. Create a folder in GEMSGUI tests/gems3k containing various cases of exported systems.
  3. Integrate the folder with xgems CI, enabling users to download and run the chemical systems for each case.

Test Setup

To begin, we will create a folder in the GEMSGUI repository, specifically in the tests/gems3k directory. This folder will contain various cases of exported systems, each representing a different combination of options for GEMS3K export. We will then use xgems CI to download this folder and load the chemical systems for each case.

Exporting Lookup Arrays P and T

The first step in testing the GEMS3K export functionality is to export lookup arrays P and T. We will use the CalcDolo, PitzerTHE, and CASHNK test projects to create these arrays. The export options will include:

  • CalcDolo: Exporting lookup arrays P and T using the CalcDolo method.
  • PitzerTHE: Exporting lookup arrays P and T using the PitzerTHE method.
  • CASHNK: Exporting lookup arrays P and T using the CASHNK method.

We will export these arrays for the following ranges:

  • P: From 1 to 1 step 1.
  • T: From 5 to 95 step 5.

Creating a Folder in GEMSGUI Repository

Next, we will create a folder in the GEMSGUI repository, specifically in the tests/gems3k directory. This folder will contain various cases of exported systems, each representing a different combination of options for GEMS3K export. The folder will be named "gems3k_export_cases" and will contain the following subfolders:

  • calc_dolo: Containing cases for the CalcDolo method.
  • pitzerthe: Containing cases for the PitzerTHE method.
  • cashnk: Containing cases for the CASHNK method.

Each subfolder will contain a series of files, each representing a different combination of export options. For example, the "calc_dolo" subfolder might contain the following files:

  • calc_dolo_p_1_1_step_1_t_5_95_step_5.gems3k: A file representing the export of lookup arrays P and T using the CalcDolo method, with P ranging from 1 to 1 step 1 and T ranging from 5 to 95 step 5.
  • calc_dolo_p_1_1_step_1_t_10_90_step_10.gems3k: A file representing the export of lookup arrays P and T using the CalcDolo method, with P ranging from 1 to 1 step 1 and T ranging from 10 to 90 step 10.

Integrating with xgems CI

Finally, we will integrate the folder with xgems CI, enabling users to download and run the chemical systems for each case. We will add a new option to the xgems CI configuration file, allowing users to download the "gems3k_export_cases" folder from the GEMSGUI repository. Once downloaded, the folder will be loaded and the chemical systems for each case will be run.

Conclusion

In conclusion, this test aims to verify that all options for GEMS3K export work correctly in xGEMS, and to create a folder in GEMSGUI tests/gems3k containing various cases of exported systems. By integrating this folder with xgems CI, we enable users to download and run the chemical systems for each case, providing a comprehensive testing framework for the GEMS3K export functionality.

Future Work

Future work will focus on expanding the scope of this test, including:

  • Adding more test projects: Incorporating additional test projects, such as the Van Laar and Wilson methods.
  • Increasing the range of export options: Expanding the range of export options, including the addition of new methods and parameters.
  • Improving the user interface: Enhancing the user interface for xgems CI, making it easier for users to download and run the chemical systems for each case.

Q: What is the purpose of the GEMS-T0005-Test GEMS3K Export?

A: The purpose of the GEMS-T0005-Test GEMS3K Export is to verify that all options for GEMS3K export work correctly in xGEMS, and to create a folder in GEMSGUI tests/gems3k containing various cases of exported systems.

Q: What are the test objectives of the GEMS-T0005-Test GEMS3K Export?

A: The test objectives of the GEMS-T0005-Test GEMS3K Export are:

  1. Verify that all options for GEMS3K export work correctly in xGEMS.
  2. Create a folder in GEMSGUI tests/gems3k containing various cases of exported systems.
  3. Integrate the folder with xgems CI, enabling users to download and run the chemical systems for each case.

Q: What are the export options being tested in the GEMS-T0005-Test GEMS3K Export?

A: The export options being tested in the GEMS-T0005-Test GEMS3K Export include:

  • CalcDolo: Exporting lookup arrays P and T using the CalcDolo method.
  • PitzerTHE: Exporting lookup arrays P and T using the PitzerTHE method.
  • CASHNK: Exporting lookup arrays P and T using the CASHNK method.

Q: What are the ranges of export options being tested in the GEMS-T0005-Test GEMS3K Export?

A: The ranges of export options being tested in the GEMS-T0005-Test GEMS3K Export include:

  • P: From 1 to 1 step 1.
  • T: From 5 to 95 step 5.

Q: How is the folder in GEMSGUI repository being created?

A: The folder in GEMSGUI repository is being created by adding a new folder named "gems3k_export_cases" in the tests/gems3k directory. This folder will contain various cases of exported systems, each representing a different combination of options for GEMS3K export.

Q: How is the folder being integrated with xgems CI?

A: The folder is being integrated with xgems CI by adding a new option to the xgems CI configuration file, allowing users to download the "gems3k_export_cases" folder from the GEMSGUI repository. Once downloaded, the folder will be loaded and the chemical systems for each case will be run.

Q: What are the future work plans for the GEMS-T0005-Test GEMS3K Export?

A: The future work plans for the GEMS-T0005-Test GEMS3K Export include:

  • Adding more test projects: Incorporating additional test projects, such as the Van Laar and Wilson methods.
  • Increasing the range of export options: Expanding the range of export options, including the addition of new methods and parameters.
  • Improving the user interface: Enhancing the user interface for xgems CI, making it easier for users to download and run the chemical systems for each case.

Q: What are the benefits of the GEMS-T0005-Test GEMS3K Export?

A: The benefits of the GEMS-T0005-Test GEMS3K Export include:

  • Improved accuracy: The test ensures that all options for GEMS3K export work correctly in xGEMS, providing accurate results.
  • Increased reliability: The test integrates the folder with xgems CI, enabling users to download and run the chemical systems for each case, making the process more reliable.
  • Enhanced user experience: The test improves the user interface for xgems CI, making it easier for users to download and run the chemical systems for each case.