import sys, os, inspect
import os, sys, inspect, inviwopy
path_to_current_folder = os.path.dirname(
os.path.abspath(inspect.getfile(inspect.currentframe())))
sys.path.append(path_to_current_folder + "/../")
import envisionpy
import envisionpy.hdf5parser
from envisionpy.network import VisualisationManager
VASP_DIR = path_to_current_folder + "/../unit_testing/resources/TiPO4_bandstructure"
HDF5_FILE = path_to_current_folder + "/../demo_force2.hdf5"
try:
os.remove(HDF5_FILE)
except:
print("Somthing went wrong")
envisionpy.hdf5parser.force_parser(HDF5_FILE, VASP_DIR)
inviwopy.app.network.clear()
# Initialize inviwo network
visManager = VisualisationManager(HDF5_FILE, inviwopy.app)
visManager.start("test")
import sys, os, inspect
import os, sys, inspect, inviwopy
path_to_current_folder = os.path.dirname(os.path.abspath(inspect.getfile(inspect.currentframe())))
sys.path.append(path_to_current_folder + "/../")
import envisionpy
import envisionpy.hdf5parser
from envisionpy.network import VisualisationManager
VASP_DIR = path_to_current_folder + "/../unit_testing/resources/Cu_band_CUB"
HDF5_FILE = path_to_current_folder + "/../demo_bandstruct2.hdf5"
# Parse for charge density visualisation.
envisionpy.hdf5parser.bandstructure(HDF5_FILE, VASP_DIR)
envisionpy.hdf5parser.fermi_energy(HDF5_FILE, VASP_DIR)
# Clear any old network
inviwopy.app.network.clear()
# Initialize inviwo network
visManager = VisualisationManager(HDF5_FILE, inviwopy.app)
visManager.start("band")
# visManager.main_visualisation.hide(False, True)
import sys, os, inspect
import os, sys, inspect, inviwopy
path_to_current_folder = os.path.dirname(os.path.abspath(inspect.getfile(inspect.currentframe())))
sys.path.append(path_to_current_folder + "/../")
import envisionpy
import envisionpy.hdf5parser
from envisionpy.network import VisualisationManager
VASP_DIR = path_to_current_folder + "/../unit_testing/resources/FCC-Cu"
HDF5_FILE = path_to_current_folder + "/../demo_fermi.hdf5"
envisionpy.hdf5parser.fermi_parser(HDF5_FILE, VASP_DIR)
# Clear any old network
inviwopy.app.network.clear()
# Initialize inviwo network
visManager = VisualisationManager(HDF5_FILE, inviwopy.app)
visManager.start("fermi")
visManager.subnetworks['fermi'].toggle_iso(True)
visManager.subnetworks['fermi'].clear_tf()
import sys, os, inspect
import os, sys, inspect, inviwopy
path_to_current_folder = os.path.dirname(os.path.abspath(inspect.getfile(inspect.currentframe())))
sys.path.append(path_to_current_folder + "/../")
import envisionpy
import envisionpy.hdf5parser
from envisionpy.network import VisualisationManager
VASP_DIR = path_to_current_folder + "/../unit_testing/resources/TiPO4_DoS"
HDF5_FILE = path_to_current_folder + "/../dos_demo.hdf5"
envisionpy.hdf5parser.dos(HDF5_FILE, VASP_DIR)
# Clear any old network
inviwopy.app.network.clear()
# Initialize inviwo network
visManager = VisualisationManager(HDF5_FILE, inviwopy.app)
visManager.start("dos")
## LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
## ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
## (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
## SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
##
## ##############################################################################################
import sys, os, inspect
import os, sys, inspect, inviwopy
path_to_current_folder = os.path.dirname(os.path.abspath(inspect.getfile(inspect.currentframe())))
sys.path.append(path_to_current_folder + "/../")
import envisionpy
import envisionpy.hdf5parser
from envisionpy.network import VisualisationManager
VASP_DIR = path_to_current_folder + "/../unit_testing/resources/TiPO4_bandstructure"
HDF5_FILE = path_to_current_folder + "/../temp7.hdf5"
#try:
# os.remove(HDF5_FILE)
#except:
# print("no habla espanol")
envisionpy.hdf5parser.force_parser(HDF5_FILE, VASP_DIR, True)
inviwopy.app.network.clear()
# Initialize inviwo network
visManager = VisualisationManager(HDF5_FILE, inviwopy.app, True)
visManager.start("force")
## ##############################################################################################
import sys, os, inspect
import os, sys, inspect, inviwopy
path_to_current_folder = os.path.dirname(
os.path.abspath(inspect.getfile(inspect.currentframe())))
sys.path.append(path_to_current_folder + "/../")
import envisionpy
import envisionpy.hdf5parser
from envisionpy.network import VisualisationManager
#--------VASP-------
#Path to VASP-files and path to where the generated HDF5-file will be located.
VASP_DIR = path_to_current_folder + "/../unit_testing/resources/MD/VASP/Al_300K"
#HDF5_FILE = path_to_current_folder + "/../demo_molecular_dynamics.hdf5"
#--------Premade HDF5-files-------
#Path to a HDF5-file already generated by the molecular_dynamics parser
HDF5_FILE = path_to_current_folder + "/../md_test.hdf5"
#HDF5_FILE = path_to_current_folder + "/../test_md_2punkt0.hdf5"
#parse the VASP-file for molecular dynamics
envisionpy.hdf5parser.mol_dynamic_parser(HDF5_FILE, VASP_DIR)
#clear any old network
inviwopy.app.network.clear()
#Initialize inviwo network
visManager = VisualisationManager(HDF5_FILE, inviwopy.app, True)
visManager.start("molecular_dynamics")
import sys, os, inspect
import os, sys, inspect, inviwopy
path_to_current_folder = os.path.dirname(
os.path.abspath(inspect.getfile(inspect.currentframe())))
sys.path.append(path_to_current_folder + "/../")
import envisionpy
import envisionpy.hdf5parser
from envisionpy.network import VisualisationManager
# Path to the vasp output directory you wish to visualise
VASP_DIR = path_to_current_folder + "/../unit_testing/resources/Cu_band_CUB"
HDF5_FILE = path_to_current_folder + "/../unit_testing/resources/DemoSlice.hdf5"
# Parse for charge density visualisation.
envisionpy.hdf5parser.charge(HDF5_FILE, VASP_DIR)
envisionpy.hdf5parser.unitcell(HDF5_FILE, VASP_DIR)
# Clear any old network
inviwopy.app.network.clear()
# Initialize inviwo network
visManager = VisualisationManager(HDF5_FILE, inviwopy.app)
visManager.start("charge")
visManager.start("atom")
visManager.subnetworks['charge'].toggle_slice_plane(True)
visManager.subnetworks['charge'].show(False, True)
import sys, os, inspect
import os, sys, inspect, inviwopy
path_to_current_folder = os.path.dirname(
os.path.abspath(inspect.getfile(inspect.currentframe())))
sys.path.append(path_to_current_folder + "/../")
import envisionpy
import envisionpy.hdf5parser
from envisionpy.network import VisualisationManager
# Path to the vasp output directory you wish to visualise
VASP_DIR = path_to_current_folder + "/../unit_testing/resources/TiPO4_ELF"
HDF5_FILE = path_to_current_folder + "/../demo_elf2.hdf5"
# Parse for charge density visualisation.
envisionpy.hdf5parser.elf(HDF5_FILE, VASP_DIR)
envisionpy.hdf5parser.unitcell(HDF5_FILE, VASP_DIR)
# Clear any old network
inviwopy.app.network.clear()
# Initialize inviwo network
visManager = VisualisationManager(HDF5_FILE, inviwopy.app)
visManager.start("elf")