Description
Return one species' predicted change from reaction extents.
Biological balance models use signed changes, conserved weights, compartment amounts and spatial conventions. A local term can preserve a supplied bookkeeping identity while the actual reactions, volumes, boundary conditions and biological interpretation still require a complete model.
Return one species' predicted change from reaction extents.
When to use this tool
Use Stoichiometric Species Balance Gap when checking one supplied biological balance, compartment or grid contribution.
How to use the tool and how it works
- Enter stoichiometricCoefficients, reactionExtents, observedChange. Keep parallel arrays aligned. Use the units and conventions below.
- Run the tool. Correct any format, range, or cross-field input error before interpreting the output.
- Read predictedChange, residual. Use the output convention below.
Return one species' predicted change from reaction extents. Require aligned stoichiometricCoefficients/reactionExtents; predictedChange = sum(coefficient*extent), residual = observedChange-predicted.1
| Input field | Meaning and units | Accepted input |
|---|---|---|
| stoichiometricCoefficients | Stoichiometric Coefficients | Required. Array of finite number; maximum items 256. |
| reactionExtents | Reaction Extents | Required. Array of finite number; maximum items 256. |
| observedChange | Observed Change | Required. Finite number. |
| Output field | Interpretation | Returned shape |
|---|---|---|
| predictedChange | Predicted Change | Required. Finite number. |
| residual | Signed difference in the direction stated above, with matching units. | Required. Finite number. |
{
"input": {
"stoichiometricCoefficients": [
-1,
2
],
"reactionExtents": [
3,
4
],
"observedChange": 6
},
"output": {
"predictedChange": 5,
"residual": 1
}
}Limitations and assumptions
- Signs, units and reaction definitions are supplied; nonnegativity, conservation and network feasibility are not verified.
- Inputs must satisfy both the field types and the cross-field conditions above. Invalid input causes an error; a successful false flag or documented placeholder is a different result.
- Numeric calculations use binary floating point unless exact decimal-integer arithmetic is explicitly stated. No hidden measurement tolerance or decimal rounding is added; nonfinite or out-of-contract results are rejected. Numeric signed-zero results are exported as zero.
Alternative or Complementary methods
Use a complete dimensionally consistent reaction/transport model with verified parameters and suitable numerical methods for biological predictions.
References
Similar or alternative tools
- Stoichiometric Column Conservation Residual
Return a weighted stoichiometric conservation residual.
- Reaction Species Count Residual
Return expected species amount after one reaction extent.