def molecule_detail(request, molecule):
job_form = JobForm.get_form(request, molecule)
mol_form = MoleculeForm(request.REQUEST)
job_is_valid = job_form.is_valid(request.method)
mol_is_valid = mol_form.is_valid()
if job_is_valid and mol_is_valid:
return job_form.get_results(request, molecule, mol_form)
elif request.is_ajax():
job_form_html = render_crispy_form(
job_form, context=RequestContext(request))
mol_form_html = render_crispy_form(
mol_form, context=RequestContext(request))
a = {
"success": False,
"job_form_html": job_form_html,
"mol_form_html": mol_form_html,
}
return HttpResponse(json.dumps(a), content_type="application/json")
a = get_molecule_info_status(molecule)
a["job_form"] = job_form
a["mol_form"] = MoleculeForm()
return render(request, "chem/molecule_detail.html", a)
def multi_molecule(request, string):
if request.REQUEST.get("random"):
amount = int(request.REQUEST.get("random"))
string = ','.join(name_expansion(string, rand=amount))
job_form = JobForm.get_form(request, "{{ name }}")
mol_form = MoleculeForm(request.REQUEST)
job_is_valid = job_form.is_valid(request.method)
mol_is_valid = mol_form.is_valid()
if job_is_valid and mol_is_valid:
return job_form.get_results(request, string, mol_form)
elif request.is_ajax():
job_form_html = render_crispy_form(
job_form, context=RequestContext(request))
mol_form_html = render_crispy_form(
mol_form, context=RequestContext(request))
a = {
"success": False,
"job_form_html": job_form_html,
"mol_form_html": mol_form_html,
}
return HttpResponse(json.dumps(a), content_type="application/json")
c = {
"pagename": string,
"job_form": job_form,
"mol_form": MoleculeForm(),
"gjf": "checked",
"autoflip": request.REQUEST.get("autoflip"),
}
return render(request, "chem/multi_molecule.html", c)
def multi_molecule(request, string):
if request.REQUEST.get("random"):
amount = int(request.REQUEST.get("random"))
string = ','.join(name_expansion(string, rand=amount))
job_form = JobForm.get_form(request, "{{ name }}")
mol_form = MoleculeForm(request.REQUEST)
job_is_valid = job_form.is_valid(request.method)
mol_is_valid = mol_form.is_valid()
if job_is_valid and mol_is_valid:
return job_form.get_results(request, string, mol_form)
elif request.is_ajax():
job_form_html = render_crispy_form(job_form,
context=RequestContext(request))
mol_form_html = render_crispy_form(mol_form,
context=RequestContext(request))
a = {
"success": False,
"job_form_html": job_form_html,
"mol_form_html": mol_form_html,
}
return HttpResponse(json.dumps(a), content_type="application/json")
c = {
"pagename": string,
"job_form": job_form,
"mol_form": MoleculeForm(),
"gjf": "checked",
"autoflip": request.REQUEST.get("autoflip"),
}
return render(request, "chem/multi_molecule.html", c)
def molecule_detail(request, molecule):
job_form = JobForm.get_form(request, molecule)
mol_form = MoleculeForm(request.REQUEST)
job_is_valid = job_form.is_valid(request.method)
mol_is_valid = mol_form.is_valid()
if job_is_valid and mol_is_valid:
return job_form.get_results(request, molecule, mol_form)
elif request.is_ajax():
job_form_html = render_crispy_form(job_form,
context=RequestContext(request))
mol_form_html = render_crispy_form(mol_form,
context=RequestContext(request))
a = {
"success": False,
"job_form_html": job_form_html,
"mol_form_html": mol_form_html,
}
return HttpResponse(json.dumps(a), content_type="application/json")
a = get_molecule_info_status(molecule)
a["job_form"] = job_form
a["mol_form"] = MoleculeForm()
return render(request, "chem/molecule_detail.html", a)
def write_png(request, molecule):
mol_form = MoleculeForm(request.REQUEST)
mol_form.is_valid()
mol_settings = dict(mol_form.cleaned_data)
out = gjfwriter.NamedMolecule(molecule, **mol_settings)
response = HttpResponse(out.get_png(), content_type="image/png")
response['Content-Disposition'] = 'filename=%s.png' % molecule
return response
def write_svg(request, molecule):
mol_form = MoleculeForm(request.REQUEST)
mol_form.is_valid()
mol_settings = dict(mol_form.cleaned_data)
out = gjfwriter.NamedMolecule(molecule, **mol_settings)
response = HttpResponse(out.get_svg(), content_type="image/svg+xml")
response['Content-Disposition'] = 'filename=%s.svg' % molecule
return response
def write_mol2(request, molecule):
mol_form = MoleculeForm(request.REQUEST)
mol_form.is_valid()
add = "" if request.REQUEST.get("view") else "attachment; "
mol_settings = dict(mol_form.cleaned_data)
out = gjfwriter.NamedMolecule(molecule, **mol_settings)
response = HttpResponse(out.get_mol2(), content_type="text/plain")
response['Content-Disposition'] = add + 'filename=%s.mol2' % molecule
return response
def write_mol2(request, molecule):
mol_form = MoleculeForm(request.REQUEST)
mol_form.is_valid()
add = "" if request.REQUEST.get("view") else "attachment; "
mol_settings = dict(mol_form.cleaned_data)
out = gjfwriter.NamedMolecule(molecule, **mol_settings)
response = HttpResponse(out.get_mol2(), content_type="text/plain")
response['Content-Disposition'] = add + 'filename=%s.mol2' % molecule
return response
def multi_molecule_zip(request, string):
try:
autoflip = request.REQUEST.get("autoflip")
molecules, warnings, errors, news = get_multi_molecule_status(
string, autoflip=autoflip)
except ValueError as e:
logger.warn(str(e))
c = {
"error": str(e)
}
return render(request, "chem/multi_molecule.html", c)
mol_form = MoleculeForm(request.REQUEST)
mol_form.is_valid()
if request.REQUEST.get("job"):
job_form = JobForm.get_form(request, "{{ name }}")
if not job_form.is_valid():
f = lambda x: 'checked' if request.REQUEST.get(x) else ''
c = {
"pagename": string,
"job_form": job_form,
"mol_form": mol_form,
"gjf": f("gjf"),
"mol2": f("mol2"),
"image": f("image"),
"job": f("job"),
}
return render(request, "chem/multi_molecule.html", c)
else:
job_form = None
selection = ("image", "mol2", "job", "gjf")
options = [x for x in selection if request.REQUEST.get(x)]
if request.REQUEST.get("new", ''):
molecules = [x for i, x in enumerate(molecules) if news[i]]
ret_zip = get_multi_molecule(molecules, options, mol_form, job_form)
response = HttpResponse(ret_zip, content_type="application/zip")
response["Content-Disposition"] = "attachment; filename=molecules.zip"
return response
def multi_molecule_zip(request, string):
try:
autoflip = request.REQUEST.get("autoflip")
molecules, warnings, errors, news = get_multi_molecule_status(
string, autoflip=autoflip)
except ValueError as e:
logger.warn(str(e))
c = {"error": str(e)}
return render(request, "chem/multi_molecule.html", c)
mol_form = MoleculeForm(request.REQUEST)
mol_form.is_valid()
if request.REQUEST.get("job"):
job_form = JobForm.get_form(request, "{{ name }}")
if not job_form.is_valid():
f = lambda x: 'checked' if request.REQUEST.get(x) else ''
c = {
"pagename": string,
"job_form": job_form,
"mol_form": mol_form,
"gjf": f("gjf"),
"mol2": f("mol2"),
"image": f("image"),
"job": f("job"),
}
return render(request, "chem/multi_molecule.html", c)
else:
job_form = None
selection = ("image", "mol2", "job", "gjf")
options = [x for x in selection if request.REQUEST.get(x)]
if request.REQUEST.get("new", ''):
molecules = [x for i, x in enumerate(molecules) if news[i]]
ret_zip = get_multi_molecule(molecules, options, mol_form, job_form)
response = HttpResponse(ret_zip, content_type="application/zip")
response["Content-Disposition"] = "attachment; filename=molecules.zip"
return response