Custom script with pyCALPHAD caused a System.ArgumentOutOfRangeException #4836
Description
Prerequisites
- Write a descriptive title.
- Make sure you are able to repro it on the latest released version
- Search the existing issues, especially the pinned issues.
Exception report
Exception:
System.ArgumentOutOfRangeException: Arvon on oltava vähintään nolla ja pienempi kuin konsolin puskurikoko kyseissä ulottuvuudessa. (Translation: Value must be at least zero and smaller than the console's buffer size in the specific dimension.)
Parametrin nimi: left (Parameter's name: left)
Todellinen arvo oli -2. (True value was -2.)
kohteessa Microsoft.PowerShell.Internal.VirtualTerminal.set_CursorLeft(Int32 value)
kohteessa Microsoft.PowerShell.PSConsoleReadLine.ReallyRender(RenderData renderData, String defaultColor)
kohteessa Microsoft.PowerShell.PSConsoleReadLine.ForceRender()
kohteessa Microsoft.PowerShell.PSConsoleReadLine.Insert(Char c)
kohteessa Microsoft.PowerShell.PSConsoleReadLine.SelfInsert(Nullable`1 key, Object arg)
kohteessa Microsoft.PowerShell.PSConsoleReadLine.ProcessOneKey(ConsoleKeyInfo key, Dictionary`2 dispatchTable, Boolean ignoreIfNoAction, Object arg)
kohteessa Microsoft.PowerShell.PSConsoleReadLine.InputLoop()
kohteessa Microsoft.PowerShell.PSConsoleReadLine.ReadLine(Runspace runspace, EngineIntrinsics engineIntrinsics)Screenshot
Last 200 Keys:
Ctrl+Alt+\ O m i s t a j a Ctrl+Alt+\ a n a c o n d a 3 Ctrl+Alt+\ p y t h o n . e x e ' Space ' c : Ctrl+Alt+\ U s e r s Ctrl+Alt+\ O m i s t a j a Ctrl+Alt+\ . v s c o d e Ctrl+Alt+\ e x t e n s i o n s Ctrl+Alt+\ m s - p y t h o n . d e b u g p y - 2 0 2 5 . 1 0 . 0 - w i n 3 2 - x 6 4 Ctrl+Alt+\ b u n d l e d Ctrl+Alt+\ l i b s Ctrl+Alt+\ d e b u g p y Ctrl+Alt+\ l a u n c h e r ' Space ' 5 1 3 2 3 ' Space ' - - ' Space ' C : Ctrl+Alt+\ U s e r s Ctrl+Alt+\ O m i s t a j a Ctrl+Alt+\ m e
t a l l i c _ g l a s s _ a n a l y s i s . p y ' Space Enter
Environment data
PS Version: 5.1.19041.6093
PS HostName: ConsoleHost
PSReadLine Version: 2.0.0-beta2
PSReadLine EditMode: Windows
OS: 10.0.19041.1 (WinBuild.160101.0800)
BufferWidth: 166
BufferHeight: 12Steps to reproduce
Step 1. Download pyCALPHAD and launch it from VSCode using Anaconda Navigator.
Step 2. Download the mmc1.TDB database.
Step 3. Run the script below:
`from pycalphad import Database, equilibrium, variables as v
import numpy as np
import matplotlib.pyplot as plt
Load thermodynamic database
dbf = Database(r'C:\Users\Omistaja\anaconda3\Lib\site-packages\pycalphad\tests\databases\mmc1.TDB')
Define system components
components = ['AL', 'Y', 'FE', 'SI', 'VA']
Define temperature and composition range
T_range = np.linspace(500, 1500, 200)
conds = {
v.X('Y'): 0.006,
v.X('FE'): 0.094,
v.X('SI'): 0.01,
v.T: T_range,
v.P: 101325
}
Define phases to consider (expand if needed)
phases = ['LIQUID', 'FCC_A1', 'BCC_A2', 'HCP_A3', 'AL13FE4', 'Y5SI3', 'SI', 'C14_LAVES']
Run equilibrium calculation
eq = equilibrium(dbf, components, phases, conds, output='NP')
Extract temperature array
T = np.squeeze(eq['T'].values)
Prepare clean dictionary of phase fractions
phase_fractions = {}
all_phases = np.unique(eq['Phase'].values)
for phase in all_phases:
try:
# Extract and squeeze NP values
np_vals = eq.sel(Phase=phase)['NP'].values
np_vals = np.squeeze(np_vals).astype(float)
# Skip phases with NaN or shape mismatch
if np_vals.shape != T.shape:
continue
if np.isnan(np_vals).all():
continue
phase_fractions[phase] = np_vals
except Exception as e:
print(f"Skipping phase {phase} due to error: {e}")
continue
Plot
plt.figure(figsize=(10, 6))
for phase, np_vals in phase_fractions.items():
plt.plot(T, np_vals, label=phase, linewidth=2)
Detect melting and crystallization if LIQUID is present
if 'LIQUID' in phase_fractions:
liq = phase_fractions['LIQUID']
for i in range(len(liq) - 1):
if np.isnan(liq[i]) or np.isnan(liq[i + 1]):
continue
if liq[i] > 1e-3 and liq[i + 1] <= 1e-3:
T_cryst = T[i]
print(f"Crystallization temperature: {T_cryst:.2f} K")
plt.axvline(T_cryst, color='blue', linestyle='--', linewidth=1)
plt.text(T_cryst + 10, 0.5, 'Cryst.', color='blue', rotation=90)
if liq[i] <= 1e-3 and liq[i + 1] > 1e-3:
T_melt = T[i + 1]
print(f"Melting temperature: {T_melt:.2f} K")
plt.axvline(T_melt, color='red', linestyle='--', linewidth=1)
plt.text(T_melt + 10, 0.5, 'Melt', color='red', rotation=90)
plt.xlabel("Temperature (K)")
plt.ylabel("Phase Fraction")
plt.title("Phase Stability vs Temperature")
plt.legend()
plt.grid(True)
plt.tight_layout()
plt.show()`
Expected behavior
Output with the phase diagram and the crystallisation and melting temperatures of a custom aluminium alloy.
Actual behavior
The phase diagram contained no phase lines, and no temperatures were calculated. Instead, the terminal gave the following output:
Skipping phase due to error: "'Phase' is not a valid dimension or coordinate"
Skipping phase AL13FE4 due to error: "'Phase' is not a valid dimension or coordinate"
Skipping phase FCC_A1 due to error: "'Phase' is not a valid dimension or coordinate"
Skipping phase LIQUID due to error: "'Phase' is not a valid dimension or coordinate"
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