def jcamp():
file = FileContainer(request.files['file'])
molfile = FileContainer(request.files.get('molfile'))
params = extract_params(request)
if file: # and allowed_file(file):
tf_jcamp = TraModel(file, molfile=molfile, params=params).convert2jcamp()
return send_file(
tf_jcamp,
attachment_filename='spectrum.jdx',
as_attachment=True
)
def image():
file = FileContainer(request.files['file'])
molfile = FileContainer(request.files.get('molfile'))
params = extract_params(request)
if file: # and allowed_file(file):
tf_img = TraModel(file, molfile=molfile, params=params).convert2img()
return send_file(
tf_img,
attachment_filename='spectrum.png',
as_attachment=True,
mimetype='image/png'
)
def zip_image():
file = FileContainer(request.files['file'])
molfile = FileContainer(request.files.get('molfile'))
params = extract_params(request)
if file: # and allowed_file(file):
tf_img = TraModel(file, molfile=molfile, params=params).convert2img()
memory = to_zip_response([tf_img])
return send_file(
memory,
attachment_filename='spectrum.zip',
as_attachment=True
)
def chemspectra_file_convert():
file = FileContainer(request.files['file'])
molfile = FileContainer(request.files.get('molfile'))
params = extract_params(request)
if file:
tf_jcamp, tf_img = TraModel(file, molfile=molfile,
params=params).convert2jcamp_img()
if not tf_jcamp:
abort(400)
jcamp = base64.b64encode(tf_jcamp.read()).decode("utf-8")
img = base64.b64encode(tf_img.read()).decode("utf-8")
return jsonify(status=True, jcamp=jcamp, img=img)
def chemspectra_file_refresh():
# src = FileContainer(request.files['src'])
dst = FileContainer(request.files['dst'])
molfile = FileContainer(request.files.get('molfile'))
# filename = request.form.get('filename', default=None)
params = extract_params(request)
if dst: # and allowed_file(file):
tm = TraModel(dst, molfile=molfile, params=params)
tf_jcamp, tf_img = tm.convert2jcamp_img()
if not tf_jcamp:
abort(400)
jcamp = base64.b64encode(tf_jcamp.read()).decode("utf-8")
img = base64.b64encode(tf_img.read()).decode("utf-8")
return jsonify(status=True, jcamp=jcamp, img=img)
def zip_jcamp_n_img():
file = FileContainer(request.files['file'])
molfile = FileContainer(request.files.get('molfile'))
params = extract_params(request)
if file: # and allowed_file(file):
cmpsr = TraModel(file, molfile=molfile, params=params).to_composer()
tf_jcamp, tf_img = cmpsr.tf_jcamp(), cmpsr.tf_img()
spc_type = cmpsr.core.ncl if cmpsr.core.typ == 'NMR' else cmpsr.core.typ
memory = to_zip_response([tf_jcamp, tf_img])
rsp = make_response(
send_file(
memory,
attachment_filename='spectrum.zip',
as_attachment=True
)
)
rsp.headers['X-Extra-Info-JSON'] = json.dumps({'spc_type': spc_type})
return rsp
def chemspectra_file_save():
src = FileContainer(request.files['src'])
dst = FileContainer(request.files['dst'])
molfile = FileContainer(request.files.get('molfile'))
filename = request.form.get('filename', default=None)
params = extract_params(request)
if dst: # and allowed_file(file):
tm = TraModel(dst, molfile=molfile, params=params)
tf_jcamp, tf_img = tm.convert2jcamp_img()
tf_arr = [
src.temp_file(),
tf_jcamp,
tf_img,
tm.tf_predict(),
]
memory = to_zip_response(tf_arr, filename, src_idx=0)
return send_file(memory,
attachment_filename='spectrum.zip',
as_attachment=True)