Package: pypsbuilder
pypsbuilderNot that simplistic THERMOCALC front-end for constructing and visualizations of P-T, T-X and P-X pseudosectionsHow to installEasiest way to installpypsbuilderis to use conda/mamba package management system. Create environment from the includedenvironment.ymlfile:conda env create -f environment.ymlormamba env create -f environment.ymlThen activate the new environment:conda activate pypsormamba activate pypsand install pypsbuilder using pip:pip install pypsbuilderor if you downloaded pypsbuilder repository, run in unzipped folder:pip install .Install master versionYou can install latest version from master branch on GitHub:pip install https://github.com/ondrolexa/pypsbuilder/archive/master.zipUpgrade existing installationTo upgrade an already installedpypsbuilderto the latest release:pip install --upgrade pypsbuilderor to latest master version:pip install --upgrade https://github.com/ondrolexa/pypsbuilder/archive/master.zipDocumentation and tutorialsCheck documentation and tutorials on RTDhttps://pypsbuilder.readthedocs.io/en/latest/Licensepypsbuilder 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 inLICENSEfile.ChangelogAll notable pypsbuilder changes.[2.4.0] - 2023-12-21Fixedimportant collect_grid_data bug causing isopleths twisting fixed.collect_ptpath missing field check addedremove_grid_data method addedisopleths bivariate spline method added[2.3.6] - 2023-12-13Addedsearch_composition method added to PTPS to find best estimate for isopleths intersection[2.3.5] - 2023-12-09Fixedaccept var check[2.3.4] - 2023-03-10Addedtristate labeling of uni and invFixedTC34API bug fixed[2.3.3] - 2023-02-08Fixedgendrawpd bug fixedmissing omit or inexcess fix[2.3.2] - 2023-01-31Addedtcinit script added to initialize project directorybulk table bug fixedpointcalc method to run TC for given pT added to explorerfixed some issues with creating areasexperimental vector isoplets for easy editing added (needs scikit-image)[2.3.1] - 2022-10-06FixedFixed support for both TC34x and TC350betaadded tool to parse TC calculations (executed out of builder)fixed ShapelyDeprecationWarningfixed collect_ptpath() along 2-point path[2.3.0] 2021-05-04Fixedlatest THERMOCALC 3.50 compatibilityAddedisopleths quadratic surface fit method addedisopleths figure and savefig options added2.2.2- 2021-01-25Fixedgendrawpd fixedfix to partially support TC3472.2.1- 2020-06-16Addedbugfix releaseoption 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] - 2020-04-11Addedptbuilder, txbuilder and pxbuilder pseudosection builderstopology graph window addeddogmin implemented (results stored in projects)autoconnect implementedinvariant point search implementedmerge of partially calculated univariant lines implementedpossibility to remove parts of univariant lines implementedzoom to uni added to context menuoption to extend calculation range to extend univariant lines gently out of defined regionPTPS, TXPS and PXPS psexplorers implementedpossibility 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] - 2019-03-25Removedautocorrection 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] - 2017-12-04Fixedclabel positioningminimum contour levelsilently ignore critical possible topology errors[2.1.2] - 2017-04-03AddedOption to show bulk composition on psexplorer figuresdio-o and gl-act-hb added to polymorphsFixedpsshow changed default color map to be darker for higher variancemanual or imported invariant points bub in psiso fixed[2.1.1] - 2017-03-28Addedcolors and cmap args added to cli version of psisoclabel arg psiso to place contour labels[2.1.0] - 2017-03-23AddedWrite starting guesses from existing calculations
(note that commented tags are needed in scriptfile)Updated parsing include rbi dataInitial version of psexplorer to draw final pseudosections and isopleths
(cli scrips provided)Manual unilines and invpoints shown in bold in lists[2.0.7] - 2017-02-13Addeddouble-click on phaselist highlight all unilines with zero mode phaseoption to export partial areasKeyboard shortcuts added Ctrl-T and Ctrl-P for CalcTatP and CalcPatT,
Ctrl-H Zoom homeFixesexcess phases stored in unilines and invpointslabeling phases sorted alphabeltically, same as phaselistauto bug fixed[2.0.6] - 2017-02-03Fixedpath to executables stored in projectscriptfile parsing improved[2.0.5] 2017-01-19Fixesoutput parsing fixed (hopefully...)Rightclick invariant points menu fixedarea construction for drawpd export fixednetworkx dependecy removed[2.0.4] - 2017-01-13Addedsaveas project addedworking directory written to Log windowLog window catch output of both thermocalc and drawpd[2.0.3] - 2017-01-13Addedinvview right click to select not yet calculated uni lines implementedFixesZoom uni button persistentexport list of phases in areas for TC-Investigatordrawpd areas construction fixed[2.0.2] - 2016-12-10FixedAreas export fixedinv filtering fixed[2.0.1] - 2016-12-10AddedRecent files implementedAdding manual uni and inv must be constrained by phases and out selectionExport areas to drawpdAuto calculation around inv pointFixedscriptfile encoding fixunilabels placement fixedrefresh instead plot during zoomnew unicutting algorithmTHERMOCALC mac-roman encoding used[2.0.0] 2016-11-19AddedInitial release of new generation of PSBuilder