def set_inpchanges(xmltree, schema_dict, change_dict, path_spec=None):
"""
This method sets all the attribute and texts provided in the change_dict.
The first occurrence of the attribute/tag is set
:param xmltree: xml tree that represents inp.xml
:param schema_dict: InputSchemaDict containing all information about the structure of the input
:params change_dict: dictionary {attrib_name : value} with all the wanted changes.
:param path_spec: dict, with ggf. necessary further specifications for the path of the attribute
An example of change_dict::
change_dict = {'itmax' : 1,
'l_noco': True,
'ctail': False,
'l_ss': True}
:returns: an xmltree of the inp.xml file with changes.
"""
from masci_tools.util.xml.xml_setters_xpaths import xml_set_first_attrib_value, xml_set_first_text
from masci_tools.util.xml.common_functions import split_off_attrib
from masci_tools.util.case_insensitive_dict import CaseInsensitiveDict
if path_spec is None:
path_spec = {}
path_spec = CaseInsensitiveDict(path_spec)
for key, change_value in change_dict.items():
#Special alias for xcFunctional since name is not a very telling attribute name
if key == 'xcFunctional':
key = 'name'
if key not in schema_dict['attrib_types'] and key not in schema_dict['simple_elements']:
raise ValueError(f"You try to set the key:'{key}' to : '{change_value}', but the key is unknown"
' to the fleur plug-in')
text_attrib = key not in schema_dict['attrib_types']
key_spec = path_spec.get(key, {})
#This method only support unique and unique_path attributes
if 'exclude' not in key_spec:
key_spec['exclude'] = ['other']
elif 'other' not in key_spec['exclude']:
key_spec['exclude'].append('other')
key_xpath = get_attrib_xpath(schema_dict, key, **key_spec)
if not text_attrib:
#Split up path into tag path and attribute name (original name of key could have different cases)
key_xpath, key = split_off_attrib(key_xpath)
if text_attrib:
xml_set_first_text(xmltree, schema_dict, key_xpath, key_xpath, change_value)
else:
xml_set_first_attrib_value(xmltree, schema_dict, key_xpath, key_xpath, key, change_value)
return xmltree
def shift_value(xmltree, schema_dict, change_dict, mode='abs', path_spec=None):
"""
Shifts numerical values of attributes directly in the inp.xml file.
The first occurrence of the attribute is shifted
:param xmltree: xml tree that represents inp.xml
:param schema_dict: InputSchemaDict containing all information about the structure of the input
:param change_dict: a python dictionary with the keys to shift and the shift values.
:param mode: 'abs' if change given is absolute, 'rel' if relative
:param path_spec: dict, with ggf. necessary further specifications for the path of the attribute
:returns: a xml tree with shifted values
An example of change_dict::
change_dict = {'itmax' : 1, 'dVac': -0.123}
"""
from masci_tools.util.case_insensitive_dict import CaseInsensitiveDict
if path_spec is None:
path_spec = {}
path_spec = CaseInsensitiveDict(path_spec)
for key, value_given in change_dict.items():
key_spec = path_spec.get(key, {})
#This method only support unique and unique_path attributes
if 'exclude' not in key_spec:
key_spec['exclude'] = ['other']
elif 'other' not in key_spec['exclude']:
key_spec['exclude'].append('other')
xmltree = add_number_to_first_attrib(xmltree, schema_dict, key, value_given, mode=mode, **key_spec)
return xmltree