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Commit a60fdd2e authored by Thomas Purcell's avatar Thomas Purcell
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Add Reparam test 

For the executable
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.gitlab-ci.yml
+ 5
− 1
View file @ a60fdd2e
...@@ -100,6 +100,8 @@ test-intel-bin: ...@@ -100,6 +100,8 @@ test-intel-bin:
- cd ../param - cd ../param
- mpiexec -n 2 ../../../bin/sisso++ - mpiexec -n 2 ../../../bin/sisso++
- python ../check_model.py - python ../check_model.py
- cd ../reparam
- mpiexec -n 2 ../../../bin/sisso++
- cd ../../../ - cd ../../../
build-gnu: build-gnu:
...@@ -180,4 +182,6 @@ test-gnu-bin: ...@@ -180,4 +182,6 @@ test-gnu-bin:
- cd ../param - cd ../param
- mpiexec -n 1 ../../../bin/sisso++ - mpiexec -n 1 ../../../bin/sisso++
- python ../check_model.py - python ../check_model.py
- cd ../reparam
- mpiexec -n 1 ../../../bin/sisso++
- cd ../../../ - cd ../../../
tests/exec_test/reparam/check_model.py 0 → 100644
+ 10
− 0
View file @ a60fdd2e
from sissopp import ModelRegressor
from pathlib import Path
import numpy as np
model = ModelRegressor(
str("models/train_dim_2_model_0.dat"), str("models/test_dim_2_model_0.dat")
)
assert model.rmse < 1e-3
assert model.test_rmse < 1e-3
tests/exec_test/reparam/data.csv 0 → 100644
+ 200
− 0
View file @ a60fdd2e
Sample,Prop,A (m),B,C ,D (Unitless)
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tests/exec_test/reparam/sisso.json 0 → 100644
+ 15
− 0
View file @ a60fdd2e
{
"desc_dim": 2,
"n_sis_select": 10,
"max_rung": 1,
"n_residual": 1,
"data_file": "data.csv",
"property_key": "Prop",
"leave_out_frac": 0.05,
"n_rung_generate": 1,
"leave_out_inds": [],
"opset": ["add", "sub", "abs_diff", "mult", "div", "inv", "abs", "sq", "cb", "six_pow", "sqrt", "cbrt"],
"param_opset": ["log"],
"fix_intercept": true,
"reparam_residual": true
}
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