out_curr[:, 2] = tmp_curr.copy()
f = open(name_file, 'w')
print("WSxM file copyright Nanotec Electronica", file=f)
print(
"WSxM ASCII XYZ file; obtained from dIdV code by Krejci et al.",
file=f)
print("X[A] Y[A] Z[A]", file=f)
print("", file=f)
np.savetxt(f, out_curr)
f.close()
#
print("WSxM files written")
if XSF:
print("writing XSF files")
xsf_head = Bu.At2XSF(geom_plot) if plot_atoms else GU.XSF_HEAD_DEFAULT
for vv in range(NoV):
if didv_b:
name_file = 'didv_' + namez[
vv] + "_tip_" + tip_type + "-" + tip_orb + "_WF_" + str(
WorkFunction -
Voltages[vv] * WF_decay) + "_eta_" + str(eta) + '.xsf'
GU.saveXSF(name_file, didv[vv], lvec, head=xsf_head)
if STM_b:
name_file = 'STM_' + namez[
vv] + "_tip_" + tip_type + "-" + tip_orb + "_WF_" + str(
WorkFunction) + "_WF_decay_" + str(round(
WF_decay, 1)) + "_eta_" + str(eta) + '.xsf'
GU.saveXSF(name_file, current[vv], lvec, head=xsf_head)
print("XSF files written")
def saveData(self):
mapType = self.parent.map
vv = self.parent.Vindx
k = self.parent.Hindx
namez = self.parent.plotData['namez']
tip_type = self.parent.plotData['tip_type']
WorkFunction = self.parent.plotData['WorkFunction']
Voltages = self.parent.plotData['Voltages']
WF_decay = self.parent.plotData['WF_decay']
eta = self.parent.myDict['etaValue']
if mapType == 'dIdV':
fileName, fext = QFileDialog.getSaveFileName(
self, "QFileDialog.getSaveFileName()",
'didv_' + namez[vv] + "_tip_" + tip_type + "-" + "_WF_" +
str(WorkFunction - Voltages[vv] * WF_decay) + "_eta_" +
str(eta) + '_%03d' % k,
"WSxM Files (*.xyz);;XSF Files (*.xsf);;NPY Files (*.npy)")
else:
fileName, fext = QFileDialog.getSaveFileName(
self, "QFileDialog.getSaveFileName()",
'STM_' + namez[vv] + "_tip_" + tip_type + "-" + "_WF_" +
str(WorkFunction) + "_WF_decay_" + str(round(WF_decay, 1)) +
"_eta_" + str(eta) + '_%03d' % k,
"WSxM Files (*.xyz);;XSF Files (*.xsf);;NPY Files (*.npy)")
if fileName:
if fext == '(*.xsf)':
print(
"For XSF or NPY outputs or tip_type = relaxed you have to have installed PPAFM in your PPSTM directory "
)
import pyPPSTM.GridUtils as GU
print("writing XSF files")
geom_plot = self.parent.plotData['geom_plot']
lvec = self.parent.plotData['lvec']
xsf_head = Bu.At2XSF(
geom_plot) #if plot_atoms else GU.XSF_HEAD_DEFAULT
if mapType == 'dIdV':
didv = self.parent.plotData['didv']
GU.saveXSF(fileName, didv[vv], lvec, head=xsf_head)
elif mapType == 'STM':
current = self.parent.plotData['current']
GU.saveXSF(fileName, current[vv], lvec, head=xsf_head)
print("XSF files written")
elif fext == '(*.npy)':
print(
"For XSF or NPY outputs or tip_type = relaxed you have to have installed PPAFM in your PPSTM directory "
)
import pyPPSTM.GridUtils as GU
print("writing npy binary files")
lvec = self.parent.plotData['lvec']
if mapType == 'dIdV':
didv = self.parent.plotData['didv']
GU.saveNpy(fileName, didv[vv],
lvec) #, head=XSF_HEAD_DEFAULT )
elif mapType == 'STM':
current = self.parent.plotData['current']
GU.saveNpy(fileName, current[vv],
lvec) #, head=XSF_HEAD_DEFAULT )
print("npy files written")
else:
# default write in WSxM
print("writing WSxM files")
tip_r0 = self.parent.plotData['tip_r0']
if mapType == 'dIdV':
didv = self.parent.plotData['didv']
tmp_curr = didv[vv, k, :, :].flatten()
out_curr = np.zeros((len(tmp_curr), 3))
out_curr[:, 0] = tip_r0[k, :, :, 0].flatten()
out_curr[:, 1] = tip_r0[k, :, :, 1].flatten()
out_curr[:, 2] = tmp_curr.copy()
f = open(fileName, 'w')
print("WSxM file copyright Nanotec Electronica", file=f)
print(
"WSxM ASCII XYZ file; obtained from dIdV code by Krejci et al.",
file=f)
print("X[A] Y[A] Z[A]", file=f)
print("", file=f)
np.savetxt(f, out_curr)
f.close()
elif mapType == 'STM':
current = self.parent.plotData['current']
tmp_curr = current[vv, k, :, :].flatten()
out_curr = np.zeros((len(tmp_curr), 3))
out_curr[:, 0] = tip_r0[k, :, :, 0].flatten()
out_curr[:, 1] = tip_r0[k, :, :, 1].flatten()
out_curr[:, 2] = tmp_curr.copy()
f = open(fileName, 'w')
print("WSxM file copyright Nanotec Electronica", file=f)
print(
"WSxM ASCII XYZ file; obtained from dIdV code by Krejci et al.",
file=f)
print("X[A] Y[A] Z[A]", file=f)
print("", file=f)
np.savetxt(f, out_curr)
f.close()
print("WSxM files written")
print("Data saved")