def set_var(self, varname, value):
"""Set a the value of a variable."""
# Check if varname is in the internal database.
if not is_abivar(varname):
raise self.Error("varname %s is not a valid ABINIT variable\n."
"Modify abipy/htc/abinit_vars.json" % varname)
# Debugging section.
if False and varname in self:
try:
iseq = (self[varname] == value)
iseq = np.all(iseq)
except ValueError:
# array like.
iseq = np.allclose(self[varname], value)
except:
iseq = False
if not iseq:
msg = "%s is already defined with a different value:\nOLD:\n %s,\nNEW\n %s" % (
varname, str(self[varname]), str(value))
logger.debug(msg)
self[varname] = value
# Handle no_multi variables.
if varname in _ABINIT_NO_MULTI and self.index != 0:
if varname in self.dt0:
glob_value = np.array(self.dt0[varname])
isok = np.all(glob_value == np.array(value))
if not isok:
err_msg = "NO_MULTI variable: dataset 0: %s, dataset %d: %s" % (
str(glob_value), self.index, str(value))
raise self.Error(err_msg)
else:
self.dt0.set_var(varname, value)
def set_var(self, varname, value):
"""Set a the value of a variable."""
# Check if varname is in the internal database.
if not is_abivar(varname):
raise self.Error("varname %s is not a valid ABINIT variable\n."
"Modify abipy/htc/abinit_vars.json" % varname)
# Debugging section.
if False and varname in self:
try:
iseq = (self[varname] == value)
iseq = np.all(iseq)
except ValueError:
# array like.
iseq = np.allclose(self[varname], value)
except:
iseq = False
if not iseq:
msg = "%s is already defined with a different value:\nOLD:\n %s,\nNEW\n %s" % (
varname, str(self[varname]), str(value))
logger.debug(msg)
self[varname] = value
# Handle no_multi variables.
if varname in _ABINIT_NO_MULTI and self.index != 0:
if varname in self.dt0:
glob_value = np.array(self.dt0[varname])
isok = np.all(glob_value == np.array(value))
if not isok:
err_msg = "NO_MULTI variable: dataset 0: %s, dataset %d: %s" % (
str(glob_value), self.index, str(value))
raise self.Error(err_msg)
else:
self.dt0.set_var(varname, value)
def is_abivar(self, varname):
"""True if varname is a valid Abinit variable."""
return is_abivar(varname)
def is_abivar(self, varname):
"""True if varname is a valid Abinit variable."""
return is_abivar(varname)
