# pypsbuilder
[](https://pypsbuilder.readthedocs.io/en/latest/?badge=latest)
[](https://github.com/ondrolexa/pypsbuilder/blob/master/LICENSE)
[](https://github.com/ondrolexa/pypsbuilder/releases/latest)
[](https://twitter.com/intent/tweet?text=Wow:&url=https%3A%2F%2Fgithub.com%2Fondrolexa%2Fpypsbuilder)
Not that simplistic THERMOCALC front-end for constructing and visualizations of P-T, T-X and P-X pseudosections
## How to install
Easiest way to install **pypsbuilder** is to use conda/mamba package management system. Create environment from the included `environment.yml` file:
conda env create -f environment.yml
or
mamba env create -f environment.yml
Then activate the new environment:
conda activate pyps
or
mamba activate pyps
and install pypsbuilder using pip:
pip install pypsbuilder
or if you downloaded pypsbuilder repository, run in unzipped folder:
pip install .
### Install master version
You can install latest version from master branch on GitHub:
pip install https://github.com/ondrolexa/pypsbuilder/archive/master.zip
### Upgrade existing installation
To upgrade an already installed **pypsbuilder** to the latest release:
pip install --upgrade pypsbuilder
or to latest master version:
pip install --upgrade https://github.com/ondrolexa/pypsbuilder/archive/master.zip
## Documentation and tutorials
Check documentation and tutorials on RTD [https://pypsbuilder.readthedocs.io/en/latest/](https://pypsbuilder.readthedocs.io/en/latest/)
## License
pypsbuilder is free software: you can redistribute it and/or modify it under the terms of the MIT License. A copy of this license is provided in ``LICENSE`` file.
# Changelog
All notable pypsbuilder changes.
## [2.4.2] - 2024-04-23
### Fixed
- another fix of and-ky-sill triple point linking
## [2.4.1] - 2024-03-07
### Fixed
- fixed and-ky-sill triple point uniline suggestions
- filled_over labeling fixed
- cdf isoplths bug fixed
### Added
- overlap_isopleths method added
## [2.4.0] - 2023-12-21
### Fixed
- important collect_grid_data bug causing isopleths twisting fixed.
### Added
- collect_ptpath missing field check added
- remove_grid_data method added
- isopleths bivariate spline method added
## [2.3.6] - 2023-12-13
### Added
- search_composition method added to PTPS to find best estimate for isopleths intersection
## [2.3.5] - 2023-12-09
### Fixed
- accept var check
## [2.3.4] - 2023-03-10
### Added
- tristate labeling of uni and inv
### Fixed
- TC34API bug fixed
## [2.3.3] - 2023-02-08
### Fixed
- gendrawpd bug fixed
- missing omit or inexcess fix
## [2.3.2] - 2023-01-31
### Added
- tcinit script added to initialize project directory
- bulk table bug fixed
- pointcalc method to run TC for given pT added to explorer
- fixed some issues with creating areas
- experimental vector isoplets for easy editing added (needs scikit-image)
## [2.3.1] - 2022-10-06
### Fixed
- Fixed support for both TC34x and TC350beta
- added tool to parse TC calculations (executed out of builder)
- fixed ShapelyDeprecationWarning
- fixed collect_ptpath() along 2-point path
## [2.3.0] 2021-05-04
### Fixed
- latest THERMOCALC 3.50 compatibility
### Added
- isopleths quadratic surface fit method added
- isopleths figure and savefig options added
## [2.2.2] - 2021-01-25
### Fixed
- gendrawpd fixed
- fix to partially support TC347
## [2.2.1] - 2020-06-16
### Added
- bugfix release
- option to to move invpoint and keep results
(useful to fine-tune topology)
- tool to cleanup storage (trim metastable calculations)
- option to hide labels of connected lines and points
## [2.2.0] - 2020-04-11
### Added
- ptbuilder, txbuilder and pxbuilder pseudosection builders
- topology graph window added
- dogmin implemented (results stored in projects)
- autoconnect implemented
- invariant point search implemented
- merge of partially calculated univariant lines implemented
- possibility to remove parts of univariant lines implemented
- zoom to uni added to context menu
- option to extend calculation range to extend univariant lines gently out of defined region
- PTPS, TXPS and PXPS psexplorers implemented
- possibility to merge several parts of pseudosection. Invariant points and
univariant lines must be unique in single project.
- calc along PT path implemented (now only for PT sections)
## [2.1.5] - 2019-03-25
### Removed
- autocorrection of liquid model named as liq but starting guesses using L removed.
User must check if liq model is coded properly. In case of tc-6xmn.txt it should be:
```
% =================================================
liq 8 1
q(liq) 0.1814
fsp(liq) 0.3490
na(liq) 0.5840
an(liq) 0.01104
ol(liq) 0.01373
x(liq) 0.7333
h2o(liq) 0.4276
% --------------------------------------------------
```
## [2.1.4] - 2017-12-04
### Fixed
- clabel positioning
- minimum contour level
- silently ignore critical possible topology errors
## [2.1.2] - 2017-04-03
### Added
- Option to show bulk composition on psexplorer figures
- dio-o and gl-act-hb added to polymorphs
### Fixed
- psshow changed default color map to be darker for higher variance
- manual or imported invariant points bub in psiso fixed
## [2.1.1] - 2017-03-28
### Added
- colors and cmap args added to cli version of psiso
- clabel arg psiso to place contour labels
## [2.1.0] - 2017-03-23
### Added
- Write starting guesses from existing calculations
(note that commented tags are needed in scriptfile)
- Updated parsing include rbi data
- Initial version of psexplorer to draw final pseudosections and isopleths
(cli scrips provided)
- Manual unilines and invpoints shown in bold in lists
## [2.0.7] - 2017-02-13
### Added
- double-click on phaselist highlight all unilines with zero mode phase
- option to export partial areas
- Keyboard shortcuts added Ctrl-T and Ctrl-P for CalcTatP and CalcPatT,
Ctrl-H Zoom home
### Fixes
- excess phases stored in unilines and invpoints
- labeling phases sorted alphabeltically, same as phaselist
- auto bug fixed
## [2.0.6] - 2017-02-03
### Fixed
- path to executables stored in project
- scriptfile parsing improved
## [2.0.5] 2017-01-19
### Fixes
- output parsing fixed (hopefully...)
- Rightclick invariant points menu fixed
- area construction for drawpd export fixed
- networkx dependecy removed
## [2.0.4] - 2017-01-13
### Added
- saveas project added
- working directory written to Log window
- Log window catch output of both thermocalc and drawpd
## [2.0.3] - 2017-01-13
### Added
- invview right click to select not yet calculated uni lines implemented
### Fixes
- Zoom uni button persistent
- export list of phases in areas for TC-Investigator
- drawpd areas construction fixed
## [2.0.2] - 2016-12-10
### Fixed
- Areas export fixed
- inv filtering fixed
## [2.0.1] - 2016-12-10
### Added
- Recent files implemented
- Adding manual uni and inv must be constrained by phases and out selection
- Export areas to drawpd
- Auto calculation around inv point
### Fixed
- scriptfile encoding fix
- unilabels placement fixed
- refresh instead plot during zoom
- new unicutting algorithm
- THERMOCALC mac-roman encoding used
## [2.0.0] 2016-11-19
### Added
- Initial release of new generation of PSBuilder
[2.3.0dev]: https://github.com/ondrolexa/pypsbuilder/compare/v2.2.2...HEAD
[2.2.2]: https://github.com/ondrolexa/pypsbuilder/compare/v2.2.1...v2.2.2
[2.2.1]: https://github.com/ondrolexa/pypsbuilder/compare/v2.1.5...v2.2.1
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"description": "# pypsbuilder\n\n\n[](https://pypsbuilder.readthedocs.io/en/latest/?badge=latest)\n[](https://github.com/ondrolexa/pypsbuilder/blob/master/LICENSE)\n[](https://github.com/ondrolexa/pypsbuilder/releases/latest)\n[](https://twitter.com/intent/tweet?text=Wow:&url=https%3A%2F%2Fgithub.com%2Fondrolexa%2Fpypsbuilder)\n\nNot that simplistic THERMOCALC front-end for constructing and visualizations of P-T, T-X and P-X pseudosections\n\n## How to install\n\nEasiest way to install **pypsbuilder** is to use conda/mamba package management system. Create environment from the included `environment.yml` file:\n\n conda env create -f environment.yml\n\nor\n\n mamba env create -f environment.yml\n\nThen activate the new environment:\n\n conda activate pyps\n\nor\n\n mamba activate pyps\n\nand install pypsbuilder using pip:\n\n pip install pypsbuilder\n\nor if you downloaded pypsbuilder repository, run in unzipped folder:\n\n pip install .\n\n### Install master version\n\nYou can install latest version from master branch on GitHub:\n\n pip install https://github.com/ondrolexa/pypsbuilder/archive/master.zip\n\n### Upgrade existing installation\n\nTo upgrade an already installed **pypsbuilder** to the latest release:\n\n pip install --upgrade pypsbuilder\n\nor to latest master version:\n\n pip install --upgrade https://github.com/ondrolexa/pypsbuilder/archive/master.zip\n\n## Documentation and tutorials\n\nCheck documentation and tutorials on RTD [https://pypsbuilder.readthedocs.io/en/latest/](https://pypsbuilder.readthedocs.io/en/latest/)\n\n## License\n\npypsbuilder is free software: you can redistribute it and/or modify it under the terms of the MIT License. A copy of this license is provided in ``LICENSE`` file.\n\n\n# Changelog\nAll notable pypsbuilder changes.\n\n## [2.4.2] - 2024-04-23\n### Fixed\n - another fix of and-ky-sill triple point linking\n## [2.4.1] - 2024-03-07\n### Fixed\n - fixed and-ky-sill triple point uniline suggestions\n - filled_over labeling fixed\n - cdf isoplths bug fixed\n### Added\n - overlap_isopleths method added\n\n## [2.4.0] - 2023-12-21\n### Fixed\n - important collect_grid_data bug causing isopleths twisting fixed.\n### Added\n - collect_ptpath missing field check added\n - remove_grid_data method added\n - isopleths bivariate spline method added\n\n## [2.3.6] - 2023-12-13\n### Added\n - search_composition method added to PTPS to find best estimate for isopleths intersection\n\n## [2.3.5] - 2023-12-09\n### Fixed\n - accept var check\n\n## [2.3.4] - 2023-03-10\n### Added\n - tristate labeling of uni and inv\n### Fixed\n - TC34API bug fixed\n\n## [2.3.3] - 2023-02-08\n### Fixed\n - gendrawpd bug fixed\n - missing omit or inexcess fix\n\n## [2.3.2] - 2023-01-31\n### Added\n - tcinit script added to initialize project directory\n - bulk table bug fixed\n - pointcalc method to run TC for given pT added to explorer\n - fixed some issues with creating areas\n - experimental vector isoplets for easy editing added (needs scikit-image)\n\n## [2.3.1] - 2022-10-06\n### Fixed\n - Fixed support for both TC34x and TC350beta\n - added tool to parse TC calculations (executed out of builder)\n - fixed ShapelyDeprecationWarning\n - fixed collect_ptpath() along 2-point path\n\n## [2.3.0] 2021-05-04\n### Fixed\n- latest THERMOCALC 3.50 compatibility\n\n### Added\n- isopleths quadratic surface fit method added \n- isopleths figure and savefig options added\n\n## [2.2.2] - 2021-01-25\n### Fixed\n- gendrawpd fixed\n- fix to partially support TC347\n\n## [2.2.1] - 2020-06-16\n### Added\n- bugfix release\n- option to to move invpoint and keep results\n(useful to fine-tune topology)\n- tool to cleanup storage (trim metastable calculations)\n- option to hide labels of connected lines and points\n\n## [2.2.0] - 2020-04-11\n### Added\n- ptbuilder, txbuilder and pxbuilder pseudosection builders\n- topology graph window added\n- dogmin implemented (results stored in projects)\n- autoconnect implemented\n- invariant point search implemented\n- merge of partially calculated univariant lines implemented\n- possibility to remove parts of univariant lines implemented\n- zoom to uni added to context menu\n- option to extend calculation range to extend univariant lines gently out of defined region\n- PTPS, TXPS and PXPS psexplorers implemented\n- possibility to merge several parts of pseudosection. Invariant points and\nunivariant lines must be unique in single project.\n- calc along PT path implemented (now only for PT sections)\n\n## [2.1.5] - 2019-03-25\n### Removed\n- autocorrection of liquid model named as liq but starting guesses using L removed.\nUser must check if liq model is coded properly. In case of tc-6xmn.txt it should be:\n\n```\n % =================================================\n liq 8 1\n\n q(liq) 0.1814\n fsp(liq) 0.3490\n na(liq) 0.5840\n an(liq) 0.01104\n ol(liq) 0.01373\n x(liq) 0.7333\n h2o(liq) 0.4276\n\n % --------------------------------------------------\n```\n\n## [2.1.4] - 2017-12-04\n### Fixed\n- clabel positioning\n- minimum contour level\n- silently ignore critical possible topology errors\n\n## [2.1.2] - 2017-04-03\n### Added\n- Option to show bulk composition on psexplorer figures\n- dio-o and gl-act-hb added to polymorphs\n\n### Fixed\n- psshow changed default color map to be darker for higher variance\n- manual or imported invariant points bub in psiso fixed\n\n## [2.1.1] - 2017-03-28\n### Added\n- colors and cmap args added to cli version of psiso\n- clabel arg psiso to place contour labels\n\n## [2.1.0] - 2017-03-23\n### Added\n- Write starting guesses from existing calculations\n(note that commented tags are needed in scriptfile)\n- Updated parsing include rbi data\n- Initial version of psexplorer to draw final pseudosections and isopleths\n(cli scrips provided)\n- Manual unilines and invpoints shown in bold in lists\n\n## [2.0.7] - 2017-02-13\n### Added\n- double-click on phaselist highlight all unilines with zero mode phase\n- option to export partial areas\n- Keyboard shortcuts added Ctrl-T and Ctrl-P for CalcTatP and CalcPatT,\nCtrl-H Zoom home\n\n### Fixes\n- excess phases stored in unilines and invpoints\n- labeling phases sorted alphabeltically, same as phaselist\n- auto bug fixed\n\n## [2.0.6] - 2017-02-03\n### Fixed\n- path to executables stored in project\n- scriptfile parsing improved\n\n## [2.0.5] 2017-01-19\n### Fixes\n- output parsing fixed (hopefully...)\n- Rightclick invariant points menu fixed\n- area construction for drawpd export fixed\n- networkx dependecy removed\n\n## [2.0.4] - 2017-01-13\n### Added\n- saveas project added\n- working directory written to Log window\n- Log window catch output of both thermocalc and drawpd\n\n## [2.0.3] - 2017-01-13\n### Added\n- invview right click to select not yet calculated uni lines implemented\n\n### Fixes\n- Zoom uni button persistent\n- export list of phases in areas for TC-Investigator\n- drawpd areas construction fixed\n\n## [2.0.2] - 2016-12-10\n### Fixed\n- Areas export fixed\n- inv filtering fixed\n\n## [2.0.1] - 2016-12-10\n### Added\n- Recent files implemented\n- Adding manual uni and inv must be constrained by phases and out selection\n- Export areas to drawpd\n- Auto calculation around inv point\n\n### Fixed\n- scriptfile encoding fix\n- unilabels placement fixed\n- refresh instead plot during zoom\n- new unicutting algorithm\n- THERMOCALC mac-roman encoding used\n\n## [2.0.0] 2016-11-19\n### Added\n- Initial release of new generation of PSBuilder\n\n[2.3.0dev]: https://github.com/ondrolexa/pypsbuilder/compare/v2.2.2...HEAD\n[2.2.2]: https://github.com/ondrolexa/pypsbuilder/compare/v2.2.1...v2.2.2\n[2.2.1]: https://github.com/ondrolexa/pypsbuilder/compare/v2.1.5...v2.2.1\n",
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