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Molecule preview button and fast plotting #620
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…ule-preview-button
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from qtpy.QtWidgets import QWidget, QSizePolicy, QVBoxLayout, QLabel, QDialog | |||
from qtpy.Qt3DExtras import Qt3DWindow |
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We'll need to update the pyproject.toml and add pyqt3d as a dependency. @MBartkowiakSTFC I guess we should add PyQt6-3D since PyQt6<=6.7.0 is in the pyproject.toml.
Overall, something seems to be missing in this PR. My MoleculeWidget does not get created, with the error:
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…ule-preview-button-and-fast-plotting
Description of work
Added molecule preview button which, on clicking, creates a window with a 3d view of the selected molecule.
Added fast plotting functionality, on double clicking the file under plot creator tab creates a new plot under plot holder tab. The dataset with main tag is plotted with solid line and dataset with partial and main tag is plotted with dashed line.
To test
Molecule preview can tested by selecting a job like angular correlation under the actions tab after using a trajectory with multiple molecules
Fast plotting can be tested by selecting a .mda file for plotting under the plot creator file and double clicking the file creates a new plot under plot holder tab.