Closed zhangy6x closed 7 years ago
Change the isotopic ratios of 'Ag' from natural abundance to [0.1, 0.9]. Code to check related terms:
Before:
>>> pprint.pprint(o_reso.get_stochiometric_ratio(compound='Ag', element='Ag')) ratios: {'107-Ag': 0.51839, '109-Ag': 0.48161000000000004} >>> pprint.pprint(o_reso.get_density(compound='Ag', element='Ag')) density: 10.5 >>> pprint.pprint(o_reso.stack['Ag']['atoms_per_cm3']) atoms_per_cm3: {'Ag': 5.8620129934957666e+22} >>> pprint.pprint(o_reso.stack['Ag']['Ag']['molar_mass'])` molar_mass: {'units': 'g/mol', 'value': 107.8682}
After:
ratios: {'107-Ag': 0.1, '109-Ag': 0.9} density: 10.581434489960898 atoms_per_cm3: {'Ag': 5.8168990688457211e+22} molar_mass: {'units': 'g/mol', 'value': 108.7047897}
Check whether the number matches:
5.8168990688457211e+22/Avogadro * 108.7047897` (updated atoms_per_cm3)/Avogadro * (updated molar mass) should be (updated density) Returns: 10.5 (should be 10.581434489960898)
Change the isotopic ratios of 'Ag' from natural abundance to [0.1, 0.9]. Code to check related terms:
Before:
After:
Check whether the number matches: