def long_chain_limit(request, upload_form): buff = StringIO() zfile = zipfile.ZipFile(buff, 'w', zipfile.ZIP_DEFLATED) for f in upload_form.cleaned_data["files"]: parser = dataparser.DataParser(f) homolumo, gap = parser.get_graphs() name, _ = os.path.splitext(f.name) if len(upload_form.cleaned_data["files"]) > 1: zfile.writestr(name + "/output.txt", parser.format_output()) zfile.writestr(name + "/homolumo.eps", homolumo.getvalue()) zfile.writestr(name + "/gap.eps", gap.getvalue()) else: zfile.writestr("output.txt", parser.format_output()) zfile.writestr("homolumo.eps", homolumo.getvalue()) zfile.writestr("gap.eps", gap.getvalue()) if len(upload_form.cleaned_data["files"]) > 1: name = "output" zfile.close() buff.flush() ret_zip = buff.getvalue() buff.close() response = HttpResponse(ret_zip, content_type="application/zip") response["Content-Disposition"] = "attachment; filename=%s.zip" % name return response
def reset_gjf(request, upload_form): job_form = JobForm.get_form(request, "{{ name }}") errors = [] strings = [] names = [] for f in upload_form.cleaned_data["files"]: try: parser = fileparser.Log(f) name, _ = os.path.splitext(f.name) td = False if request.REQUEST.get("td_reset"): name += '_TD' td = True strings.append(parser.format_gjf(td=td)) names.append(name) except Exception as e: logger.warn("There was an error when trying to reset a gjf: '%s'" % str(e)) errors.append((f.name, e)) if request.REQUEST.get("gjf_submit"): if not job_form.is_valid(request.method): if request.is_ajax(): upload_form_html = render_crispy_form(upload_form, context=RequestContext(request)) job_form_html = render_crispy_form(job_form, context=RequestContext(request)) a = { "success": False, "job_form_html": job_form_html, "upload_form_html": upload_form_html, } return HttpResponse(json.dumps(a), content_type="application/json") c = { "job_form": job_form, "upload_form": upload_form, } return render(request, "chem/upload_log.html", c) d = dict(job_form.cleaned_data) cred = d.pop("credential") a = cluster.interface.run_jobs(cred, names, strings, **d) a["failed"].extend(errors) do_html = request.REQUEST.get("html", False) if do_html: html = render_to_string("chem/multi_submit.html", a) temp = {"success": True, "html": html} return HttpResponse(json.dumps(temp), content_type="application/json") else: return HttpResponse(json.dumps(a), content_type="application/json") buff = StringIO() zfile = zipfile.ZipFile(buff, 'w', zipfile.ZIP_DEFLATED) for name, string in zip(names, strings): zfile.writestr("%s.gjf" % name, string) if errors: temp = ['%s - %s' % (name, error) for (name, error) in errors] zfile.writestr("errors.txt", '\n'.join(temp)) zfile.close() buff.flush() ret_zip = buff.getvalue() buff.close() response = HttpResponse(ret_zip, content_type="application/zip") response["Content-Disposition"] = "attachment; filename=output.zip" return response
def reset_gjf(request, upload_form): job_form = JobForm.get_form(request, "{{ name }}") errors = [] strings = [] names = [] for f in upload_form.cleaned_data["files"]: try: parser = fileparser.Log(f) name, _ = os.path.splitext(f.name) td = False if request.REQUEST.get("td_reset"): name += '_TD' td = True strings.append(parser.format_gjf(td=td)) names.append(name) except Exception as e: logger.warn("There was an error when trying to reset a gjf: '%s'" % str(e)) errors.append((f.name, e)) if request.REQUEST.get("gjf_submit"): if not job_form.is_valid(request.method): if request.is_ajax(): upload_form_html = render_crispy_form( upload_form, context=RequestContext(request)) job_form_html = render_crispy_form( job_form, context=RequestContext(request)) a = { "success": False, "job_form_html": job_form_html, "upload_form_html": upload_form_html, } return HttpResponse(json.dumps(a), content_type="application/json") c = { "job_form": job_form, "upload_form": upload_form, } return render(request, "chem/upload_log.html", c) d = dict(job_form.cleaned_data) cred = d.pop("credential") a = cluster.interface.run_jobs(cred, names, strings, **d) a["failed"].extend(errors) do_html = request.REQUEST.get("html", False) if do_html: html = render_to_string("chem/multi_submit.html", a) temp = {"success": True, "html": html} return HttpResponse(json.dumps(temp), content_type="application/json") else: return HttpResponse(json.dumps(a), content_type="application/json") buff = StringIO() zfile = zipfile.ZipFile(buff, 'w', zipfile.ZIP_DEFLATED) for name, string in zip(names, strings): zfile.writestr("%s.gjf" % name, string) if errors: temp = ['%s - %s' % (name, error) for (name, error) in errors] zfile.writestr("errors.txt", '\n'.join(temp)) zfile.close() buff.flush() ret_zip = buff.getvalue() buff.close() response = HttpResponse(ret_zip, content_type="application/zip") response["Content-Disposition"] = "attachment; filename=output.zip" return response