alekseik1 / ifg-py Goto Github PK

Passing two vectors (1xn arrays) to any function results in returning a vector instead of matrix.

The solution should be based on np.meshgrid() usage, so that the result will be a matrix 'n*m', where n is size of specific_volume vector and 'm' is size of temperature vector.

A new name is easier to type and free from incomprehensions like ifg_py or ifg-py

Steps to reproduce:

1. run docker image of ubuntu:16.04
2. apt update && apt install -y python3-pip && pip install ifg
3. enjoy crashes on install:

      File "/usr/lib/python2.7/dist-packages/setuptools/sandbox.py", line 46, in _execfile
        exec(code, globals, locals)
      File "/tmp/easy_install-1rWE4t/scipy-1.5.0/setup.py", line 31, in <module>
        'Programming Language :: Python :: 3.6',
    RuntimeError: Python version >= 3.6 required.

Proposed solution:

• Check tox configuration - it should really check and crash, not pass every time;
• Add post-build tests to CI:
  • Make build multi-staged;
  • Safe wheel package as an artefact after the build stage;
  • Test if package can be successfully installed on clean ubuntu in docker image;
• Deploy only after all checks are successful. Currently, deploy is triggered after each test.

Given by

theta = T / k_B

where k_B denotes Boltzmann constant, theta should be an alternative way to specify temperature.
Needs implementation and tests

Defined by equation

4/3 \pi r_s^3 = 1/n,

where n stands for concentration, r_s can be used as an alternative source of specific volume input.

It needs to be implemented and tested

I.e. if c_S if used in article, c_S should be used in code (regardless of PEP8).

Needs to be checked for all input parameters.

Модуль выдает не все термодинамические параметры, описанные в документации (я смотрел help(ifg) в консоли).

Так, энтропия (S) совсем не выводится, хотя в документации есть, а желательно еще добавить энергию (E).

Кроме того, параметр, отвечающий за давление, сейчас называется (p), маленькая буква, а хотелось бы для единообразия, чтобы была большая (P).

Currently, it is unclear whether calculator supports vectorized input for both specific_volume and temperature.

Should check it, and cover with tests

• FInd reports from PR about low temperatures crash;
• FInd reports from PR about high temperatures crash;
• Implement high temperature asymptotic;
• Implement low temperature asymptotic;

Docs are already in readthedocs, just need to write more text

• Formatting strings f'{variable1}'
• Type and default value in function signature