|
38 | 38 | from rmgpy.exceptions import DatabaseError, InputError |
39 | 39 | from rmgpy.molecule import Molecule, Group |
40 | 40 | from rmgpy.quantity import Quantity, Energy, RateCoefficient, SurfaceConcentration |
41 | | -from rmgpy.rmg.model import CoreEdgeReactionModel |
42 | 41 | from rmgpy.rmg.settings import ModelSettings, SimulatorSettings |
43 | 42 | from rmgpy.solver.termination import TerminationTime, TerminationConversion, TerminationRateRatio |
44 | 43 | from rmgpy.solver.liquid import LiquidReactor |
|
47 | 46 | from rmgpy.solver.surface import SurfaceReactor |
48 | 47 | from rmgpy.util import as_list |
49 | 48 | from rmgpy.data.surface import MetalDatabase |
50 | | -from rmgpy.rmg.reactors import Reactor, ConstantVIdealGasReactor, ConstantTLiquidSurfaceReactor, ConstantTVLiquidReactor, ConstantTPIdealGasReactor |
| 49 | + |
51 | 50 | from rmgpy.data.vaporLiquidMassTransfer import liquidVolumetricMassTransferCoefficientPowerLaw |
52 | 51 | from rmgpy.molecule.fragment import Fragment |
53 | 52 |
|
@@ -432,7 +431,7 @@ def constant_V_ideal_gas_reactor(temperature, |
432 | 431 | terminationRateRatio=None, |
433 | 432 | balanceSpecies=None): |
434 | 433 | logging.debug('Found ConstantVIdealGasReactor reaction system') |
435 | | - |
| 434 | + from rmgpy.rmg.reactors import ConstantVIdealGasReactor |
436 | 435 | for key, value in initialMoleFractions.items(): |
437 | 436 | if not isinstance(value, list): |
438 | 437 | initialMoleFractions[key] = float(value) |
@@ -533,6 +532,7 @@ def constant_TP_ideal_gas_reactor(temperature, |
533 | 532 | terminationRateRatio=None, |
534 | 533 | balanceSpecies=None): |
535 | 534 | logging.debug('Found ConstantTPIdealGasReactor reaction system') |
| 535 | + from rmgpy.rmg.reactors import ConstantTPIdealGasReactor |
536 | 536 |
|
537 | 537 | for key, value in initialMoleFractions.items(): |
538 | 538 | if not isinstance(value, list): |
@@ -635,6 +635,7 @@ def liquid_cat_reactor(temperature, |
635 | 635 | terminationTime=None, |
636 | 636 | terminationRateRatio=None, |
637 | 637 | constantSpecies=[]): |
| 638 | + from rmgpy.rmg.reactors import ConstantTLiquidSurfaceReactor |
638 | 639 | for spec, conc in initialConcentrations.items(): |
639 | 640 | if not isinstance(conc, list): |
640 | 641 | concentration = Quantity(conc) |
@@ -730,7 +731,7 @@ def constant_T_V_liquid_reactor(temperature, |
730 | 731 | terminationRateRatio=None, |
731 | 732 | constantSpecies=[]): |
732 | 733 |
|
733 | | - |
| 734 | + from rmgpy.rmg.reactors import ConstantTVLiquidReactor |
734 | 735 | ################################################# check input ######################################################## |
735 | 736 |
|
736 | 737 | if not isinstance(temperature, list): |
@@ -1493,6 +1494,8 @@ def read_input_file(path, rmg0): |
1493 | 1494 | `rmg`. |
1494 | 1495 | """ |
1495 | 1496 | global rmg, species_dict, mol_to_frag |
| 1497 | + from rmgpy.rmg.model import CoreEdgeReactionModel |
| 1498 | + from rmgpy.rmg.reactors import Reactor |
1496 | 1499 |
|
1497 | 1500 | full_path = os.path.abspath(os.path.expandvars(path)) |
1498 | 1501 | try: |
|
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