Package schrodinger :: Package application :: Module report2d

Module report2d

Utilities for generating PDF and HTML 2D report files.

Classes

Report2D

Functions

generate_pdf(infile, outfile, num_cols, paper_size='LETTER', props=[], display_property_names=True, max_scale_factor=0.2, use_color=True)
Convenience function.

generate_html(infile, outfile, num_cols, props=[], display_property_names=True, images_same_size=True, bond_length_scale=0.6, max_scale_factor=0.2, use_color=True)
Convenience function.

generate_xls(infile, outfile, props=[], images_same_size=True, bond_length_scale=0.3, max_scale_factor=0.2, use_color=True)
Convenience function.

Variables

[hide private]

DEBUG = False

EXPORT_IMAGE_HEIGHT = 200

EXPORT_IMAGE_WIDTH = 400

EXPORT_NOSCALE_SCALE = 0.6

HTML_IMAGE_SCALE = 0.5

MAX_ATOMS = 300

STEREO_3D = 2

STEREO_2D = 4

STEREO_AUTO = 6

__package__ = 'schrodinger.application'

Function Details

[hide private]

generate_pdf(infile, outfile, num_cols, paper_size=`'LETTER'`, props=`[]`, display_property_names=True, max_scale_factor=0.2, use_color=True)

Convenience function. Generates a PDF document from the specified structure file.

infile - Input structure file path outfile - Output PDF file path num_cols - number of columns to produce papser_size - for now always LETTER props - property data names to include display_property_names - whether to print property names in addition to values

generate_html(infile, outfile, num_cols, props=`[]`, display_property_names=True, images_same_size=True, bond_length_scale=0.6, max_scale_factor=0.2, use_color=True)

Convenience function. Generates an HTML document from the specified structure file.

infile - Input structure file path outfile - Output HTML file path num_cols - number of columns to produce (specify zero to produce spreadsheet-style HTML) props - property data names to include display_property_names - whether to print property names in addition to values

generate_xls(infile, outfile, props=`[]`, images_same_size=True, bond_length_scale=0.3, max_scale_factor=0.2, use_color=True)

Convenience function. Generates an Excel spreadsheet document from the specified structure file.

infile - Input structure file path outfile - Output HTML file path props - property data names to include

Module report2d

generate_pdf(infile, outfile, num_cols, paper_size='LETTER', props=[], display_property_names=True, max_scale_factor=0.2, use_color=True)

generate_html(infile, outfile, num_cols, props=[], display_property_names=True, images_same_size=True, bond_length_scale=0.6, max_scale_factor=0.2, use_color=True)

generate_xls(infile, outfile, props=[], images_same_size=True, bond_length_scale=0.3, max_scale_factor=0.2, use_color=True)

generate_pdf(infile, outfile, num_cols, paper_size=`'LETTER'`, props=`[]`, display_property_names=True, max_scale_factor=0.2, use_color=True)

generate_html(infile, outfile, num_cols, props=`[]`, display_property_names=True, images_same_size=True, bond_length_scale=0.6, max_scale_factor=0.2, use_color=True)

generate_xls(infile, outfile, props=`[]`, images_same_size=True, bond_length_scale=0.3, max_scale_factor=0.2, use_color=True)