Esempi in Python per CostDBElements

Esempio n. 1

File: test_cost.py Progetto: paulfons/pymatgen

 def test_sanity(self):
     ca = CostAnalyzer(CostDBElements())
     self.assertGreater(ca.get_cost_per_kg("PtO"),
                        ca.get_cost_per_kg("MgO"))

Esempio n. 2

File: cost.py Progetto: rwoodsrobinson/propnet

from pymatgen.analysis.cost.cost import CostDBElements, CostAnalyzer

cost_analyzer = CostAnalyzer(CostDBElements())


def plug_in(symbol_values):
    formula = symbol_values['formula']
    return {
        'cost_per_kg': cost_analyzer.get_cost_per_kg(formula),
        'cost_per_mol': cost_analyzer.get_cost_per_mol(formula)
    }


DESCRIPTION = """
A rough estimate of cost of a given material based on elemental prices,
based on pymatgen's CostAnalyzer."
"""
config = {
    "name":
    "cost",
    "connections": [{
        "inputs": ["formula"],
        "outputs": ["cost_per_mol", "cost_per_kg"]
    }],
    "categories": ["meta"],
    "symbol_property_map": {
        "cost_per_mol": "cost_per_mol",
        "cost_per_kg": "cost_per_kg",
        "formula": "formula"
    },
    "description":