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ENH: Simplify convert_math_to_symbolic #5

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ENH: Simplify convert_math_to_symbolic #5

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27 changes: 12 additions & 15 deletions src/pycalphad_xml/parser.py
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Original file line number Diff line number Diff line change
Expand Up @@ -11,20 +11,21 @@
from pathlib import Path
this_dir = Path(__file__).parent

def _stringify_node_text(node):
return ''.join(node.xpath('./text()')).replace('\n', '').replace(' ', '').strip()

def convert_math_to_symbolic(math_nodes):

def convert_math_to_symbolic(math_node):
result = 0.0
interval_nodes = [x for x in math_nodes if (not isinstance(x, str)) and x.tag == 'Interval']
string_nodes = [x for x in math_nodes if isinstance(x, str)]
for math_node in string_nodes:
# +0 is a hack, for how the function works
result += _sympify_string(math_node+'+0')
result += convert_intervals_to_piecewise(interval_nodes)
interval_nodes = [x for x in math_node if x.tag == 'Interval']
# +0 is a hack, for how the function works
result += _sympify_string(_stringify_node_text(math_node)+'+0')
result += _convert_intervals_to_piecewise(interval_nodes)
result = result.xreplace({Symbol('T'): v.T, Symbol('P'): v.P})
return result


def convert_intervals_to_piecewise(interval_nodes):
def _convert_intervals_to_piecewise(interval_nodes):
exprs = []
conds = []
for interval_node in interval_nodes:
Expand All @@ -33,7 +34,7 @@ def convert_intervals_to_piecewise(interval_nodes):
variable = interval_node.attrib['in']
lower = float(interval_node.attrib.get('lower', '-inf'))
upper = float(interval_node.attrib.get('upper', 'inf'))
math_expr = convert_math_to_symbolic([''.join(interval_node.itertext()).replace('\n', '').replace(' ', '').strip()])
math_expr = _sympify_string(_stringify_node_text(interval_node)+'+0')
if upper != float('inf'):
cond = And(lower <= getattr(v, variable, Symbol(variable)), upper > getattr(v, variable))
else:
Expand Down Expand Up @@ -181,9 +182,7 @@ def parse_model(dbf, phase_name, model_node, parameters):
constituent_array = [[str(c) for c in sorted(lx)] for lx in constituent_array]

# Parameter value
# Interval _and_ text (if any) to be able to handle intervals or scalar expressions
param_nodes = param_node.xpath('./Interval') + [''.join(param_node.xpath('./text()')).strip()]
function_obj = convert_math_to_symbolic(param_nodes)
function_obj = convert_math_to_symbolic(param_node)

# TODO: Reference

Expand Down Expand Up @@ -254,9 +253,7 @@ def read_xml(dbf, fd):
dbf.species.add(v.Species(species, constituent_dict, charge=species_charge))
elif child.tag == 'Expr':
function_name = str(child.attrib['id'])
# Interval _and_ text (if any) to be able to handle intervals or scalar expressions
expr_nodes = child.xpath('./Interval') + [''.join(child.xpath('./text()')).strip()]
function_obj = convert_math_to_symbolic(expr_nodes)
function_obj = convert_math_to_symbolic(child)
_setitem_raise_duplicates(dbf.symbols, function_name, function_obj)
elif child.tag == 'Phase':
model_nodes = child.xpath('./Model')
Expand Down