"allow modular models, move get_model_ppm_per_point to utils"

predict-gui.py

@@ -7,7 +7,7 @@ from omegaconf import OmegaConf
 import gradio as gr
 import plotly.graph_objects as go
 
-from shimnet.predict_utils import Defaults, resample_input_spectrum, resample_output_spectrum, initialize_predictor
+from shimnet.predict_utils import Defaults, resample_input_spectrum, resample_output_spectrum, initialize_predictor, get_model_ppm_per_point
 
 # silent deprecation warnings
 import warnings
@@ -35,7 +35,7 @@ def process_file(input_file, config_file, weights_file, input_spectrometer_frequ
         input_spectrometer_frequency = None
     # Load configuration and initialize predictor
     config = OmegaConf.load(config_file)
-    model_ppm_per_point = config.data.frq_step / config.metadata.spectrometer_frequency
+    model_ppm_per_point = get_model_ppm_per_point(config)
     predictor = initialize_predictor(config, weights_file)
 
     # Load input data

predict.py

@@ -33,7 +33,7 @@ if __name__ == "__main__":
     output_dir.mkdir(exist_ok=True, parents=True)
 
     config = OmegaConf.load(args.config)
-    model_ppm_per_point = config.data.get("frq_step", config.metadata.get("frq_step")) / config.metadata.spectrometer_frequency
+    model_ppm_per_point = get_model_ppm_per_point(config)
     predictor = initialize_predictor(config, args.weights)
 
     for input_file in args.input_files:

shimnet/predict_utils.py

@@ -1,4 +1,5 @@
 import numpy as np
+from hydra.utils import instantiate
 
 from .models import ShimNetWithSCRF, Predictor
 
@@ -19,6 +20,12 @@ def resample_output_spectrum(input_freqs, freqs, prediction):
     return prediction
 
 def initialize_predictor(config, weights_file):
-    model = ShimNetWithSCRF(**config.model.kwargs)
+    if "_target_" in config.model:
+        model = instantiate(config.model)
+    else:
+        model = ShimNetWithSCRF(**config.model.kwargs)
     predictor = Predictor(model, weights_file)
     return predictor
+
+def get_model_ppm_per_point(config):
+    return config.data.get("frq_step", config.metadata.get("frq_step")) / config.metadata.spectrometer_frequency