from pptx import Presentation
from pptx.util import Inches
from pychembldb import *

prs = Presentation()
title_only_slidelayout = prs.slidelayouts[5]
slide = prs.slides.add_slide(title_only_slidelayout)
shapes = slide.shapes

shapes.title.text = "10.1016/S0960-894X(01)80693-4"

rows = 6
cols = 6
left = Inches(0.5)
top = Inches(1.5)
width = Inches(8.0)
height = Inches(0.8)

tbl = shapes.add_table(rows, cols, left, top, width, height)

tbl.columns[0].width = Inches(2.0)

tbl.cell(0, 0).text = 'inchi_key'
tbl.cell(0, 1).text = 'activity'
tbl.cell(0, 2).text = 'HBD'
tbl.cell(0, 3).text = 'HBA'
tbl.cell(0, 4).text = 'PSA'
tbl.cell(0, 5).text = 'MWT'

for journal in chembldb.query(Doc).filter_by(doi="10.1016/S0960-894X(01)80693-4"):
    for assay in journal.assays[:1]:
        for i, activity in enumerate(assay.activities[:5], 1):
            tbl.cell(i, 0).text = activity.compound.molecule.structure.standard_inchi_key
            tbl.cell(i, 1).text = str(activity.published_value)
            tbl.cell(i, 2).text = str(activity.compound.molecule.property.hbd)
            tbl.cell(i, 3).text = str(activity.compound.molecule.property.hba)
            tbl.cell(i, 4).text = str(activity.compound.molecule.property.psa)
            tbl.cell(i, 5).text = str(activity.compound.molecule.property.mw_freebase)

prs.save('test.pptx')