exex

Experiment codebase for chemchem package

This file will become your README and also the index of your documentation.

Install

pip install exex

C2 = Gas('C2')

O2 = Gas('O2')

CO2 = Gas('CO2')

r = Reaction(reactants=[Gas('C2'), Gas('O2')], products=[Gas('CO2')])

r.__dict__

{'reaction': <chemlib.chemistry.Reaction>,
 'reactants': [exex.gas.core.Gas(formula='C₂'),
  exex.gas.core.Gas(formula='O₂')],
 'products': [exex.gas.core.Gas(formula='C₁O₂')],
 'formula': '1C₂ + 1O₂ --> 1C₁O₂',
 'system': <exex.system.System>,
 'environment': <exex.environment.OpenContainer>}

CO2.get_system()

<exex.system.System>

r.system.__dict__

{'universe': None,
 'current_time': None,
 'highest_time': None,
 'reactions': [exex.reaction.core.Reaction(formula='1C₂ + 1O₂ --> 1C₁O₂')],
 '_subscribers': {},
 'idx_reaction': None}

r

exex.reaction.core.Reaction(formula='1C₂ + 1O₂ --> 1C₁O₂')

CO2.properties

{'mass': <exex.core.Mass>,
 'mole': <exex.core.Mole>,
 'pressure': <exex.core.Pressure>,
 'volume': <exex.core.Volume>,
 'temperature': <exex.core.Temperature>,
 'ideal_gas_constant': <exex.gas.core.IdealGasConstant>,
 'is_ideal_gas': <exex.gas.core.IsIdealGas>}

CO2.laws['mass_mole_ratio'].__dict__

{'compound': exex.gas.core.Gas(formula='C₁O₂'),
 'properties': [{'object': exex.core.Mass}, {'object': exex.core.Mole}]}

from exex.utils import camel_to_snake

camel2snake(CO2.__class__.__name__)

'gas'

C2.snake_name

'C2'

reactants = [C2, O2]

dic = {}

C2.formula

'C₂'

for reactant in reactants:
    dic[reactant.snake_name] = reactant

dic

{'C2': exex.gas.core.Gas(formula='C₂'), 'O2': exex.gas.core.Gas(formula='O₂')}

C2

exex.gas.core.Gas(formula='C₂')

C2.__dict__

{'properties': {'mass': <exex.core.Mass>,
  'mole': <exex.core.Mole>,
  'pressure': <exex.core.Pressure>,
  'volume': <exex.core.Volume>,
  'temperature': <exex.core.Temperature>,
  'ideal_gas_constant': <exex.gas.core.IdealGasConstant>,
  'is_ideal_gas': <exex.gas.core.IsIdealGas>},
 'laws': {'mass_mole_ratio': <exex.compound.core.MassMoleRatio>,
  'boyle_law': <exex.gas.core.BoyleLaw>,
  'charles_law': <exex.gas.core.CharlesLaw>,
  'avogadro_law': <exex.gas.core.AvogadroLaw>,
  'ideal_gas_law': <exex.gas.core.IdealGasLaw>},
 'time': None,
 'system': <exex.system.System>,
 'elements': [<chemlib.chemistry.Element>,
  <chemlib.chemistry.Element>],
 'formula': 'C₂',
 'coefficient': 1,
 'occurences': {'C': 2}}

C2.formula

'C₂'

r.reaction.__dict__

{'reactants': [exex.gas.core.Gas(formula='C₂'),
  exex.gas.core.Gas(formula='O₂')],
 'products': [exex.gas.core.Gas(formula='C₁O₂')],
 'compounds': [exex.gas.core.Gas(formula='C₂'),
  exex.gas.core.Gas(formula='O₂'),
  exex.gas.core.Gas(formula='C₁O₂')],
 'reactant_formulas': ['C₂', 'O₂'],
 'product_formulas': ['C₁O₂'],
 'formula': '1C₂ + 1O₂ --> 1C₁O₂',
 'coefficients': {'C₂': 1, 'O₂': 1, 'C₁O₂': 1},
 'constituents': ['C₂', 'O₂', 'C₁O₂'],
 'reactant_occurences': {'C': 2, 'O': 2},
 'product_occurences': {'C': 1, 'O': 2},
 'is_balanced': False}

from chemlib import Reaction, Compound

Reaction(reactants=[Compound('CO2')], products=[]).__dict__

{'reactants': [<chemlib.chemistry.Compound>],
 'products': [],
 'compounds': [<chemlib.chemistry.Compound>],
 'reactant_formulas': ['C₁O₂'],
 'product_formulas': [],
 'formula': '1C₁O₂ --> ',
 'coefficients': {'C₁O₂': 1},
 'constituents': ['C₁O₂'],
 'reactant_occurences': {'C': 1, 'O': 2},
 'product_occurences': {},
 'is_balanced': False}