# `06_PolymerSystems/optimization_water_models`

This directory archives optimized PNIPAAm-water parameter sets and
differential-evolution histories used by the polymer-system comparison
workflows.

## Prerequisites

Use the root repository environment. No setup is required to inspect the JSON
or CSV files directly.

## File Patterns

- `pnipaam_water_<source>_const_m.json`: fitted parameter set for one water
  source in the main comparison
- `pnipaam_water_<source>_const_moptimize_parameters_example_constant_m_transition_de_gen.csv`:
  optimizer history for the corresponding main fit
- `pnipaam_water_bahrabadi_const_m_T_scale_<value>.json`: fitted parameter set
  for the temperature-scaling study
- `pnipaam_water_bahrabadi_const_m_T_scale_<value>optimize_parameters_example_constant_m_transition_de_gen.csv`:
  optimizer history for the corresponding `T_scale` run

Current source labels are `arndt`, `grob`, `esper`, and `bahrabadi`. Archived
`T_scale` values currently include `0.01`, `0.1`, `1`, `10`, and `100`.

## Consumers

- [`../plot_polymer_lle_waters.py`](../plot_polymer_lle_waters.py): compares
  the main water-model fits
- [`../plot_polymer_lle_T_scale_study.py`](../plot_polymer_lle_T_scale_study.py):
  compares the `T_scale` variants

## Commands

Refresh the archive from the parent directory:

```bash
cd 06_PolymerSystems
python optimize_parameters_example_constant_m_transition.py
```

Generate figures that consume these files:

```bash
cd 06_PolymerSystems
python plot_polymer_lle_waters.py
python plot_polymer_lle_T_scale_study.py
```

## Notes

The optimizer appends generation rows to matching CSV history files. Move or
rename old histories first if a rerun should start with a clean archive.
