schrodinger.application.desmond.report_helper module

class schrodinger.application.desmond.report_helper.NumberedCanvas(*args, **kwargs)

Bases: reportlab.pdfgen.canvas.Canvas

drawPageNumber(page_count)
save()

add page info to each page (page x of y)

showPage()
schrodinger.application.desmond.report_helper.add_and_parse_SMILES(smiles_str)

parse SMILES string such that it fits on the page

schrodinger.application.desmond.report_helper.add_spacer(Elements)
schrodinger.application.desmond.report_helper.add_table(Elements, table, style, col_width)

horizontal table, where the header is on the first row

schrodinger.application.desmond.report_helper.add_vtable(Elements, table, style, width_list)

add table, where header is in the first column

schrodinger.application.desmond.report_helper.aspectScale(ix, iy, bx, by)

Scale image to fit into box (bx,by) keeping aspect ratio

schrodinger.application.desmond.report_helper.change_plot_colors(axis, spines=True, ticks=True, labels=True, polar=False)
schrodinger.application.desmond.report_helper.convertQimageToImage(qimg)

converts QImage object to PIL Image object, in order to crop

schrodinger.application.desmond.report_helper.crop_image(image_in)

get rid of the white background rgb=[255,255,255]

schrodinger.application.desmond.report_helper.generate_aligned_2d_ligand_pair(fn_list, ct1, ct2, aligned_core)

Given two ligands, try to generate a 2d-plot where they’re aligned.

schrodinger.application.desmond.report_helper.generate_ligand_2d_image(filename, ligand_st=None, scene=None, crop=True, ret_size=False)

given a scene, or a ligand st, output the 2d image

schrodinger.application.desmond.report_helper.generate_ligand_2d_placeholder(filename, natoms)
schrodinger.application.desmond.report_helper.get_image(fn, height, width)
schrodinger.application.desmond.report_helper.get_pargph(txt, fixed=False, fontsize=11, color='black', hAlign='left')
schrodinger.application.desmond.report_helper.get_qcolor(hex_color)
schrodinger.application.desmond.report_helper.header(Elements, txt, style=<ParagraphStyle 'Heading1'>, klass=<class reportlab.platypus.paragraph.Paragraph>, sep=0.3)
schrodinger.application.desmond.report_helper.load_gui()
schrodinger.application.desmond.report_helper.new_page(Elements)

insert page break

schrodinger.application.desmond.report_helper.pargph(Elements, txt, fixed=False, fontsize=11, color='black')
schrodinger.application.desmond.report_helper.replica_name(n)
schrodinger.application.desmond.report_helper.save_2d_annotated_img(structure_item, filename, crop=True, ret_size=False)