triplot 1.1.0__py3-none-any.whl

triplot-1.1.0.dist-info/METADATA

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+Metadata-Version: 2.4
+Name: triplot
+Version: 1.1.0
+Summary: An interactive panel for stacked DSC scans from TA Instruments TRIOS files.
+Author: Christian Nelle
+License-Expression: MIT
+Keywords: dsc,calorimetry,trios,ta instruments,thermal analysis,plotting
+Classifier: Development Status :: 5 - Production/Stable
+Classifier: Intended Audience :: Science/Research
+Classifier: Topic :: Scientific/Engineering :: Chemistry
+Classifier: Programming Language :: Python :: 3
+Classifier: Programming Language :: Python :: 3.10
+Classifier: Operating System :: Microsoft :: Windows
+Classifier: Environment :: X11 Applications :: Qt
+Requires-Python: >=3.10
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: numpy
+Requires-Dist: PySide6-Essentials
+Requires-Dist: rdkit
+Provides-Extra: test
+Requires-Dist: pytest; extra == "test"
+Provides-Extra: structures
+Requires-Dist: rdkit; extra == "structures"
+Dynamic: license-file
+
+# Triplot
+
+An interactive panel for stacked DSC scans from TA Instruments **TRIOS**
+files. Drop `.tri` files on it, stack the scans into the arrangement you want,
+mark an interval on a curve to analyse it, and hand the result to a figure: a
+PNG or SVG, a CSV, or a `DSC_Plotter.py` script that redraws it in matplotlib.
+
+It reads TRIOS `.tri` files and `.txt` exports from DSC and SDT (TGA + DSC)
+instruments with its own reader, validated against TRIOS's exports value by
+value (`tests/test_reader.py`).
+
+```bash
+pip install triplot
+triplot                      # start it
+triplot my-sample.tri        # straight into a file
+triplot register             # put it in the Start Menu (optional)
+```
+
+Python 3.10 or newer; PySide6 (the Essentials only), numpy and RDKit come
+with it. From a checkout, `pip install -e <checkout>` installs it editable.
+Version 1.1.0; what changed is in `CHANGELOG.md`.
+
+It was called **DSC-Panel** until 1.0.0 and installed from the repository
+as `ach-dsc-panel`. To move over, uninstall that first (both install the
+same `dscpanel` package), then clean up the old name's Start Menu entry:
+
+```bash
+pip uninstall ach-dsc-panel
+pip install triplot
+triplot register --clean-legacy
+triplot register
+```
+
+Its preferences, presets and window place come across by themselves the
+first time Triplot starts, and saved figures keep their `.dscpanel`
+extension.
+
+## What it does differently from a plotting script
+
+- **Every segment is an object.** A `.tri` holds a heating ramp, a cooling
+  ramp and usually five more; each one is a scan you can select, move, hide,
+  colour and right-click. A file opens with its first heating scan on the
+  plot and every other segment listed in the outliner, one tick away - so
+  comparing the second and third up-scans of four samples is four ticks.
+- **Three themes.** `blender-default` is the dark screen one, `light` is
+  the same figure on white, `boombox` a brushed-metal dark one. Exports are
+  always light, whichever is on screen.
+- **Analyses are objects, and they start off.** A run carries a dozen stored
+  analyses; each is a row in the outliner with its own box, its own colour
+  and its own settings. Where the file could not say for certain which scan
+  an analysis belongs to (a `.txt` export names only the step), it is drawn
+  with a dashed tick and a question mark, and it can be moved to the right
+  scan by hand.
+- **The stack is continuous.** Scans go wherever you put them (`G`, or just
+  type a number), and the offset each one carries is drawn beside it as a
+  number with an arrow. No mouse gesture moves a scan by accident.
+- **Nothing is normalised.** The y axis is mW, W/g or W/mol, with real
+  numbers on it. A DSC baseline depends on the mass, the pan and the heating
+  rate, and scaling each trace to its own extremum would hide exactly the
+  differences a stack is for.
+- **Per mole is opt-in.** W/mol needs a molar mass, there is no default, and
+  a scan that has not been given one is drawn as a dashed placeholder with a
+  blinking red label instead of being plotted wrong. An export of a figure
+  with one in it carries a `NO MOLAR MASS` notice on the image and on the
+  console.
+- **A legend when you want one** (tick it in the outliner): a colour sample and a name per
+  drawn scan, taking each scan's own label. It is an artist, so it is dragged
+  and anchored like the rest, and it starts off.
+- **Labels can belong to a line.** Right-click a curve and add one: it
+  takes that line's colour, is listed under it in the outliner, and is
+  removed with it. Free-standing captions (`Ctrl+T`) work the same way
+  otherwise.
+- **Artists carry a transform.** Everything that augments the figure rather
+  than coming from the data - the heat-flow arrow, a caption, whatever comes
+  next - derives from one base class with a position, an anchor and per-kind
+  capability flags. A position can be given as a fraction of the plot or in
+  the axes' own units, and switching between them does not move anything.
+- **The heat-flow arrow is an object too.** Label it "exo down", "exo up",
+  "endo up" or "endo down"; the curves and the y axis follow the label, so
+  the arrow and the data cannot contradict each other.
+- **The exotherm direction is read from the file** where the file says it (a
+  `.txt` export states it in the header; a `.tri` carries TRIOS's audit line),
+  and reported as assumed where it does not.
+
+## Keys
+
+| Key | What it does |
+| :-- | :-- |
+| click | select what is under the pointer (`Shift` adds) |
+| drag from a curve | **mark an interval**; let go and pick the analysis |
+| drag from an artist | move it: the arrow, the legend, a label, an analysis label, an axis caption |
+| drag from empty space | **box select** (with `Shift`, a box from anywhere, adding) |
+| double-click | settings: a curve, an analysis, an axis spine, a caption |
+| two-finger swipe, mouse wheel, or middle-button drag | scale the y axis about y = 0 (drag up: taller) |
+| `Shift` + swipe or middle drag | pan the view, in whichever direction the hand goes |
+| pinch, `Ctrl` + wheel or middle drag | zoom both axes about the pointer (Windows sends a pinch as `Ctrl+wheel`) |
+| `Alt` + swipe or middle drag | zoom the page, like a document; with `Shift`, move it (`Alt+F` fits it again) |
+| `Z` | cycle zoom: box, horizontal, vertical (`Esc` leaves) |
+| `P` | cycle pan: horizontal, vertical, free |
+| `F` / `Home` | fit the view, with room for every analysis label shown |
+| `Esc` | back to plain select |
+| `G` | grab the selection: move, or type a number, `Enter` to confirm - the only way a scan moves |
+| `X` / `Y` while moving | lock a direction (a scan only moves in y) |
+| `Shift` / `Ctrl` while moving | precision / snap to round numbers |
+| `R` | reset the selected offsets to zero (or all of them) |
+| a number | move the selected scans by it; `Enter` confirms, `Esc` cancels |
+| `Ctrl+T` | add a caption where the cursor is |
+| `Ctrl+Shift+T` | add a note: a caption with an arrow to the point under the cursor (on a curve, it belongs to that scan); drag the ring at its tip to re-aim it |
+| `S` with only scans selected | spread them evenly about y = 0; type the step, `Ctrl` for a round one |
+| `Ctrl+P` / `Alt+P` | give the selected labels to the selected scan (they then move with it) / free them; or drag a label onto a scan in the outliner |
+| double-click a page handle | type the figure's size in cm or inches, the aspect ratio kept |
+| `Ctrl+L` / `Ctrl+R` / `Ctrl+M` | align analysis labels left / right / centred on their arrows |
+| `C` | measure by typing: two temperatures, then `Enter` |
+| `Delete` | remove the selection: an analysis, a caption, or scans |
+| `Ctrl+A` / `Alt+A` | select everything / nothing; `Shift+click` adds |
+| `H` / `Alt+H` | hide the selection / show everything |
+| `Shift+M` | set the molar mass |
+| `N` | show or hide the outliner |
+| `F3` | **operator search**: everything, filtered by what is selected |
+| `Ctrl+Z` / `Ctrl+Y` | undo / redo, including a file you removed - and zoom, pan and fit, one gesture at a time |
+| `Ctrl+S` / `Ctrl+E` | save the session / export the figure |
+| `Ctrl+,` | settings: the house style, for every figure and for this one |
+| `Ctrl+W` | close the pop-up in front; the window only when no pop-up is open |
+
+The rule is short on purpose: **a drag acts on what it starts near.**
+"Near" is the pick distance (Settings > Handling, 14 px unless you change
+it): start within it of a curve and the drag marks an interval; of a label,
+the arrow or the legend and it moves that; anywhere else it draws a box. A
+click selects, a double-click opens settings. A scan moves with `G` and
+nothing else, and an analysis label moves up or down only, with its leader
+arrow stretching to follow.
+
+The menu bar is File, Edit, **Search** (the same as `F3`) and Help (About).
+Everything else lives in the search, filtered by what is selected.
+
+Right-click a curve for its settings, its molar mass, a label or a note;
+right-click an axis's number to hide it (its tick stays).
+
+The figure follows the DSC_Plotter template: no grid, ticks pointing inward
+with minor ticks, an italic `T` against an upright unit, and integrations
+shaded between the curve and their baseline. All of it is editable per object,
+and the x axis can be drawn in degrees Celsius, Kelvin or Fahrenheit.
+
+## Measuring
+
+Press on a curve and drag along it (a double-click-drag works too): the
+stretch between the two crosshairs is the interval. Let go, and a short list opens under the pointer -
+Onset, Integration, Glass transition and the rest; one click, or type and
+`Enter`. The analysis is computed, drawn and added to the outliner at once,
+and it is one undo step. `Esc` on the list drops the interval.
+
+To give the temperatures as numbers instead, select one scan and press `C`,
+then type a temperature for each crosshair (in whatever unit the axis is
+showing) and `Enter`; `Esc` steps back one stage at a time.
+
+Double-clicking an analysis made here brings its cursors back as gizmos,
+with its settings opened beside them rather than over them. Drag a gizmo
+and the analysis is recomputed as you let go; close the settings - OK,
+Cancel or the window's X - and the interval is confirmed and the gizmos go.
+
+The arithmetic is `trios_analysis`, the same code the reader uses for the
+analyses TRIOS stored, so a measurement made here and one read out of a `.tri`
+are the same kind of thing. Against a stored integration in a reference run
+the panel computes 13.3 J/g where the file says 13.2611.
+
+Each analysis marks its interval with a dash on the curve at each end, in
+the axis colour; an onset, endset or glass transition also gets straight
+lines from those dashes to its result point, the template's construction
+(one tickbox hides them). A cursor can be picked up and dragged rather than
+replaced. Adjusting an existing analysis keeps the model it already has.
+Analyses made here are saved with the session and recomputed from the file
+when it is reopened.
+
+A finished analysis arrives with its own caption - `\Delta*H* = 13.247 J/g`,
+`*T*_{g} = 78.9 degC` - which is editable text in its settings. Captions
+anywhere in the figure take the same small markup: `*T*` for italic, `_{g}`
+for a subscript, and a backslash name for a Greek letter.
+
+**Hiding the ends of a curve** (Scan settings > Hide) is the plotter's
+`x_truncate`: the first and last N % of the POINTS, never a temperature
+window - a DSC curve doubles back at its start and runs backwards when
+cooling. The hidden ends show dashed while the scan is hovered or selected,
+and are left out of the fit, the analyses and the exports. For the same
+reason an interval dragged along a curve is the stretch of points between
+where the drag began and ended, not every point between two temperatures.
+
+The caption's **alignment** is the plotter's `flush`: which edge of the text
+sits on the leader arrow. Left reads away to the right of the feature, right
+to the left, centred hangs over it. By default it follows the analysis kind
+as the template does - tangent constructions (onset, endset, glass
+transition) flush left, integrals centre.
+
+## House style
+
+`Ctrl+,` (Edit > Settings) sets the sizes and the label alignment, in two
+columns:
+
+- **Default** is yours: kept on this computer, used by every figure, and
+  there the next time the program starts. The **pick distance** lives here
+  too, under Handling: it is about your hand, not about a figure.
+- **This figure** is saved in the session file and wins over the default,
+  for this figure only. Left on "default", it follows the column beside it.
+
+A size chosen in an object's own settings (double-click it) wins over both,
+and its **Default** button hands it back. The **caption distance** is the
+space between an axis's numbers and its caption.
+
+Every settings window applies as you touch it and keeps the changes however
+it is closed; its **Revert** button is the one way back. Closing the program
+with unsaved changes asks first.
+
+## Figure size
+
+Edit > **Figure size and margins** (saved with the session) gives the figure
+one of three sizes: whatever the window is, a fixed aspect ratio, or an
+**exact size** in centimetres or inches with four margins. At an exact size
+the margins decide the axes box - the numbers and captions live inside them,
+and the dialog says when one does not fit - so two figures with the same
+settings have identical axes boxes whatever their numbers say, and sit side
+by side in Word without adjusting. On screen the figure is shown as its page,
+scaled to fit. **Use for new figures** makes a layout the default.
+
+Each axis can sit on either side (x bottom or top, y left or right) and hide
+its numbers, single numbers or its caption (double-click the axis line or
+its numbers). On an exact figure an axis moved to its other side takes its
+margin with it, and no margin can be cut into the numbers it holds - the
+one at the corner of the box included.
+
+## Exports
+
+| Export | What it is for |
+| :-- | :-- |
+| PNG / SVG | the figure, drawn in the light palette, warnings stamped on; at an exact size, exactly that size (the PNG carries its dpi, the SVG its millimetres) |
+| CSV | the curves as numbers, one x/y column pair per scan |
+| `DSC_Plotter.py` | the arrangement as a driver script for the DSC_Plotter matplotlib template |
+
+The driver needs that template's `achdsc` package, which is not on PyPI.
+With it installed the export is a complete, runnable `DSC_Plotter.py` with
+your paths, segments, colours and offsets already in it; without it, the
+driver section alone, to paste into a copy made by `dsc -c .`.
+
+## The Start Menu, aliases, and the name
+
+The name lives in exactly one module (`src/dscpanel/branding.py`) and a test
+fails if it is hard-coded anywhere else; that is how DSC-Panel became
+Triplot. Putting the program in the Start Menu is opt-in and reversible,
+and it writes down what it created, so a rename can take the old name away:
+
+```bash
+triplot register                # Start Menu entry (add --desktop for one there too)
+triplot register --list         # what is registered
+triplot register --remove       # take it away again
+triplot register --clean-legacy # after a rename: remove the old name's entries
+```
+
+Your own name for it, on any platform (a `.cmd` shim on Windows, a symlink in
+`~/.local/bin` elsewhere):
+
+```bash
+triplot alias tp
+triplot alias tp --remove
+```
+
+## Project layout
+
+```
+src/dscpanel/
+  branding.py        every place the program says its own name
+  register.py        Start Menu entry, aliases, and the manifest of both
+  core/              UI-free: model, units, arranging, undo, session, export
+    trios_io.py      the TRIOS reader (docs/TRI-FORMAT.md)
+    trios_analysis.py  the TRIOS analyses, recomputed
+  ui/                the painted plot, the outliner, the F3 palette, dialogs
+docs/PLAN.md         what is built, what is next, what is still undecided
+docs/TRI-FORMAT.md   the binary .tri format, and how it was decoded
+docs/OPERATORS.md    every operator, its key and when it lights up
+```
+
+## Development
+
+```bash
+python -m pytest -q
+```
+
+Measurements are not committed. The tests that need a real `.tri` look for
+paths in `TRIOS_TESTDATA` or in an uncommitted `tests/local_testdata.txt`,
+and skip when there are none. They name a real file by a hash of its file
+name (`tests/conftest.py`, `hashed_name`), so no sample id is in the
+source.

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triplot-1.1.0.dist-info/WHEEL

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+Wheel-Version: 1.0
+Generator: setuptools (84.0.0)
+Root-Is-Purelib: true
+Tag: py3-none-any
+

triplot-1.1.0.dist-info/entry_points.txt

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+[console_scripts]
+triplot = dscpanel.__main__:main
+
+[gui_scripts]
+triplot-gui = dscpanel.__main__:main

triplot-1.1.0.dist-info/licenses/LICENSE

@@ -0,0 +1,22 @@
+MIT License
+
+Copyright (c) 2026 Christian Nelle, Arbeitsgruppe Prof. Sebastian Henke,
+Fakultät für Chemie und Chemische Biologie, Technische Universität Dortmund
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

triplot-1.1.0.dist-info/top_level.txt

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+dscpanel