Function printHires

Example

// TypeScript usage example
import {printHires} from 'diff-grok';

printHires();
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# Python reference calculation for comparison
import numpy as np
import pandas as pd
from scipy.integrate import solve_ivp

# -------------------------
# 0. Solver method
# -------------------------
METHOD = "Radau"  # stiff solver suitable for HIRES

# -------------------------
# 1. Define HIRES ODE
# -------------------------
def hires(t, y):
   y1, y2, y3, y4, y5, y6, y7, y8 = y
   dy = np.zeros(8)
   dy[0] = -1.71 * y1 + 0.43 * y2 + 8.32 * y3 + 0.0007
   dy[1] = 1.71 * y1 - 8.75 * y2
   dy[2] = -10.03 * y3 + 0.43 * y4 + 0.035 * y5
   dy[3] = 8.32 * y2 + 1.71 * y3 - 1.12 * y4
   dy[4] = -1.745 * y5 + 0.43 * y6 + 0.43 * y7
   dy[5] = -280 * y6 * y8 + 0.69 * y4 + 1.71 * y5 - 0.43 * y6 + 0.69 * y7
   dy[6] = 280 * y6 * y8 - 1.81 * y7
   dy[7] = -280 * y6 * y8 + 1.81 * y7
   return dy

# -------------------------
# 2. Initial conditions and time
# -------------------------
y0 = [1, 0, 0, 0, 0, 0, 0, 0.0057]

t_start = 0.0
t_end = 321.8122
t_step = 0.01
n_points = int(np.ceil((t_end - t_start) / t_step)) + 1
t_eval = np.linspace(t_start, t_end, n_points)

# -------------------------
# 3. Solve ODE
# -------------------------
sol = solve_ivp(
   hires,
   t_span,
   y0,
   method=METHOD,
   t_eval=t_eval,
   rtol=1e-10,
   atol=1e-10
)

print("Success:", sol.success)
print("Message:", sol.message)

# -------------------------
# 4. Save solution to CSV
# -------------------------
# Combine time + concentrations
data = np.column_stack((sol.t, sol.y.T))

# Column names
col_names = ['t'] + ['y1','y2','y3','y4','y5','y6','y7','y8']

# Create DataFrame and save
df = pd.DataFrame(data, columns=col_names)
filename = f'HIRES-using-{METHOD}.csv'
df.to_csv(filename, index=False)

print(f"Solution saved to '{filename}'")

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