schrodinger.application.report2d module¶
Utilities for generating PDF and HTML 2D report files.
Copyright Schrodinger, LLC. All rights reserved.
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class
schrodinger.application.report2d.
StructInfo
(pic, width, height, labels, title)[source]¶ Bases:
object
Stores information that is needed to draw a structure to PDF/HTML. This includes the QPicture or image file path, picture dimentions, lables, and structure title.
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class
schrodinger.application.report2d.
PicturePrinter
(printer, pictures, num_cols, max_scale_factor)[source]¶ Bases:
object
Class for drawing structure pictures to a QPrinter for generating PDFs.
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PAGE_MARGIN
= 10¶
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CELL_PADDING
= 10¶
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__init__
(printer, pictures, num_cols, max_scale_factor)[source]¶ - Parameters
printer (QPrinter instance) – PDF printer to draw the pictures to.
pictures (List of StructInfo instances.) – Pictures to draw for each structure.
num_cols (int) – Number of columns to create in the PDF.
max_scale_factor (float) – This setting will set the limit on shrinking of smaller structures. So that, for example, benzens never take up the whole image.
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class
schrodinger.application.report2d.
Report2D
(adaptor, renderer, render_model)[source]¶ Bases:
object
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__init__
(adaptor, renderer, render_model)[source]¶ Initialize self. See help(type(self)) for accurate signature.
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generatePdf
(sts, num_sts, outfile)[source]¶ - Generates a PDF document from the structures returned by the specified
Structures iterator.
- Parameters
sts – Iterator that yields Structure objects. You can pass structure.StructureReader(<file>)
num_sts – Number of structures
outfile – Name of the file to generate (must end with .pdf)
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generateHtml
(sts, num_sts, outfile)[source]¶ Generates an HTML document from the structures returned by the specified Structures iterator.
- Parameters
sts – Iterator that yields Structure objects. You can pass structure.StructureReader(<file>)
num_sts – Number of structures
outfile – Name of the file to generate (must end with .html)
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generateXls
(sts, num_sts, outfile)[source]¶ Generates an Excel spreadsheet, which is basically just like HTML file, but with a different exteion and only one structure per row.
- Parameters
sts – Iterator that yields Structure objects. You can pass structure.StructureReader(<file>)
num_sts – Number of structures
outfile – Name of the file to generate (must end with .html)
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