schrodinger.application.report2d.Report2D

Class Report2D

Instance Methods

__init__(self, adaptor, renderer, render_model, app=None)

_savePicToFile(self, pic, filename)
Saves specified QPicture to specified file path, using the global model.

_generateHtml(self, outfile)
Generates the HTML file from the saved images

_generatePdf(self, outfile)
Generates the PDF file from the saved images.

_generateImages(self, base_name, progress=None, qpic=False)
Generates 2D structure images and saves them to files qpic = whether to return a list of QPicture objects instead of file paths If qpic is True, base_name is ignored.

_generateReport(self, outfile, type)

warning(self, msg)

generatePdf(self, sts, num_sts, outfile)
Generates a PDF document from the structures returned by the specified Structures iterator.

generateHtml(self, sts, num_sts, outfile)
Generates an HTML document from the structures returned by the specified Structures iterator.

generateXls(self, sts, num_sts, outfile)
Generates an Excel spreadsheet, which is basically just like HTML file, but with a different exteion and only one structure per row.

_savePicToFile(self, pic, filename)

Saves specified QPicture to specified file path, using the global model. Used by generateReport() and exportToPng()

_generatePdf(self, outfile)

Generates the PDF file from the saved images.

Parameters:

outfile (str) - Path to the PDF file to generate.

generatePdf(self, sts, num_sts, outfile)


Generates a PDF document from the structures returned by the specified Structures iterator.

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)

generateHtml(self, sts, num_sts, outfile)


Generates an HTML document from the structures returned by the specified Structures iterator.

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)

generateXls(self, sts, num_sts, outfile)


Generates an Excel spreadsheet, which is basically just like HTML file, but
with a different exteion and only one structure per row.

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)