Welcome to pypsbuilder documentation!

Introduction

Tutorials

References

THERMOCALC is a thermodynamic calculation program (Powell & Holland 1988) that uses an internally-consistent thermodynamic dataset (Holland & Powell, 1998, 2011) to undertake thermobarometry and phase diagram calculations for metamorphic rocks. However, using THERMOCALC to create a diagram is quite laborious; each curve must be calculated by hand, and the Schreinemaker’s analysis must be done manually. The curves must be built up one by one, and manually combined.

pypsbuilder is developed with the idea to make this tedious process much easier and more enjoyable while keeping the concept to force users understand the Phase Rule, Schreinemaker’s analysis, and how variance changes across field boundaries.

Check Pseudosection builders tutorial and Pseudosection explorers tutorial or watch video below to see pypsbuilder in action.

Changelog

All notable pypsbuilder changes.

[2.6.4] - 2025-08-03

Fixed

  • TC 3.51 compatibility added

Added

  • sys could be used as phase to access G H S V rho variables

[2.6.3] - 2025-04-03

Fixed

  • fixed multipolygon bug when subsections are merged

[2.6.2] - 2025-02-11

Fixed

  • f-string py3.10 bugfix

[2.6.1] - 2025-01-24

Added

  • Both PyQt5 and PyQt6 are supported and need to be specified as extra option during installation

[2.6.0] - 2025-01-23

Initial PyQt6 release

[2.5.3] - 2024-12-18

Latest version using PyQt5 only

[2.5.0] - 2024-12-13

Fixed

  • fix for coe-q

[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