[Code scan] Make AbacusLite property keyword conflict checks effective

[njzjz]

This issue is a result of a Codex global repository scan.

AbacusTemplate.get_property_keywords() appears intended to detect contradictory keyword requirements between requested ASE properties, but the param_cache_ dictionary is never updated. As a result, counter() can only compare against an empty cache and will not detect conflicts between property keyword sets.

abacus-develop/interfaces/ASE_interface/abacuslite/core.py

Lines 192 to 224 in 84ca04b

	def get_property_keywords(self,
	parameters: Dict[str, str],
	properties: List[str]) -> Dict[str, str]:
	'''Connect the relationship between the properties calculation and
	the ABACUS keywords. May be more complicated in the future, therefore
	it is better to have a seperate mapping function instead of
	implementing in some other functions.
	Parameters
	----------
	parameters : dict
	The parameters used to perform the calculation.
	properties : list of str
	The list of properties to calculate
	'''
	# update the parameters with the keywords for the properties
	# however, one should also consider that there may be the case that
	# contradictory keywords are needed. In this kind of cases,
	# we should raise a ValueError
	param_cache_ = {}
	def counter(param_new: Dict[str, str]) -> Dict[str, str]:
	info = 'desired properties required contradictory keywords'
	for k, v in param_new.items():
	if k in param_cache_ and param_cache_[k] != v:
	raise ValueError(f'{info}: {k}={v} (now), {param_cache_[k]} (before)')
	# if it is alright, pass through
	return param_new
	# update the parameters with the keywords for the properties
	for p in properties:
	assert p in self.implemented_properties
	parameters.update(counter(getattr(self, f'get_{p}_keywords')(parameters)))

Relevant code:

param_cache_ = {}
def counter(param_new: Dict[str, str]) -> Dict[str, str]:
    info = 'desired properties required contradictory keywords'
    for k, v in param_new.items():
        if k in param_cache_ and param_cache_[k] != v:
            raise ValueError(f'{info}: {k}={v} (now), {param_cache_[k]} (before)')
    return param_new

for p in properties:
    assert p in self.implemented_properties
    parameters.update(counter(getattr(self, f'get_{p}_keywords')(parameters)))

Impact:

If two property handlers require different values for the same ABACUS keyword, the later parameters.update(...) silently wins instead of raising the documented ValueError. This can produce an input file that does not match one of the requested properties.

Suggested fix:

Update param_cache_ after validating each property keyword set, and consider checking against user-provided parameters as well if a requested property would overwrite an explicit user keyword.