feature to download the spectrum file (.spec)

frontend/src/components/CalcSpectrum.tsx

@@ -7,6 +7,7 @@ import { Controller, useForm } from "react-hook-form";
 import Switch from "@mui/material/Switch";
 import FormControlLabel from "@mui/material/FormControlLabel";
 import CircularProgress from "@mui/material/CircularProgress";
+import Button from "@mui/material/Button";
 import { CalcSpectrumPlotData, CalcSpectrumResponseData } from "../constants";
 import { FormValues } from "./types";
 import { Database } from "./fields/Database";
@@ -41,6 +42,7 @@ export const CalcSpectrum: React.FC = () => {
   const [useGesia, setUseGesia] = useState(false);
   const [useSlit, setUseSlit] = useState(false); // checking that user wants to apply the slit function or not in available modes
   const [useSimulateSlitFunction, setUseSimulateSlitFunction] = useState(false); // checking the mode and enable or disable slit feature
+  const [downloadbutton, setdownloadbutton] = useState(false);
   const Schema = yup.object().shape({
     useNonEqi: yup.boolean(),
     use_simulate_slit: yup.boolean(),
@@ -136,6 +138,7 @@ export const CalcSpectrum: React.FC = () => {
     }
 
     setLoading(true);
+    setdownloadbutton(true);
     console.log(data);
     setError(undefined);
 
@@ -163,7 +166,40 @@ export const CalcSpectrum: React.FC = () => {
           setCalcSpectrumResponse(response);
         }
       }
-      setLoading(false); //setLoading(false) is called after the response is received
+      setLoading(false);
+      setdownloadbutton(false);
+    });
+  };
+  //download the .spec file
+  const downloadSpec = async (data: FormValues): Promise<void> => {
+    if (useSlit == true) {
+      if (data.mode === "radiance_noslit") {
+        data.mode = "radiance";
+      }
+      if (data.mode === "transmittance_noslit") {
+        data.mode = "transmittance";
+      }
+    }
+    console.log(data);
+    setError(undefined);
+    import(/* webpackIgnore: true */ "./config.js").then(async (module) => {
+      const rawResponse = await axios.post(
+        module.apiEndpoint + `download_spectrum`,
+        data
+      );
+      if (
+        rawResponse.data.data === undefined &&
+        rawResponse.data.error === undefined
+      ) {
+        handleBadResponse("Bad response from backend!");
+      } else {
+        const response = await rawResponse.data;
+        if (response.error) {
+          handleBadResponse(response.error);
+        } else {
+          setCalcSpectrumResponse(response);
+        }
+      }
     });
   };
   const databaseWatch = watch("database");
@@ -187,6 +223,21 @@ export const CalcSpectrum: React.FC = () => {
     }
   }, [databaseWatch, modeWatch]);
 
+  //download button
+  const DownloadSpectrum: React.FC = () => (
+    <Button
+      id="down-spectrum-button"
+      disabled={downloadbutton}
+      variant="contained"
+      color="primary"
+      onClick={handleSubmit((data) => {
+        console.table(data);
+        downloadSpec(data);
+      })}
+    >
+      Download spectrum
+    </Button>
+  );
   const UseNonEquilibriumCalculations = () => (
     <Controller
       name="useNonEqi"
@@ -315,6 +366,9 @@ export const CalcSpectrum: React.FC = () => {
             <Grid item xs={12}>
               <CalcSpectrumButton />
             </Grid>
+            <Grid item xs={12}>
+              <DownloadSpectrum />
+            </Grid>
           </Grid>
         </Grid>
 

server/main.py

@@ -1,27 +1,29 @@
+import datetime
+import radis
 from typing import List, Optional
 from fastapi import FastAPI
 from pydantic import BaseModel
-import radis
 from fastapi.middleware.cors import CORSMiddleware
 from pydantic.typing import Literal
+from fastapi.responses import FileResponse
 # for high resolution
 radis.config["GRIDPOINTS_PER_LINEWIDTH_WARN_THRESHOLD"] = 7
 app = FastAPI()
 
+
 app.add_middleware(
     CORSMiddleware,
     allow_origins=["*"],
     allow_credentials=True,
     allow_methods=["*"],
     allow_headers=["*"],
 )
-
-
+@app.get("/")
+def read_root():
+    return {"message": " Hello World"}
 class Species(BaseModel):
     molecule: str
     mole_fraction: float
-
-
 class Payload(BaseModel):
     min_wavenumber_range: float
     max_wavenumber_range: float
@@ -31,14 +33,39 @@ class Payload(BaseModel):
     tvib: Optional[float] = None
     trot: Optional[float] = None
     path_length: float
-    simulate_slit: Optional[int] = None
-    mode: Literal["absorbance", "transmittance_noslit", "radiance_noslit", "transmittance", "radiance"]
+    simulate_slit: int
+    use_simulate_slit:bool
+    mode: Literal["absorbance", "transmittance_noslit", "radiance_noslit"]
     database: Literal["hitran", "geisa"]
-    use_simulate_slit: bool = False
+
+def calculate_spectrum(payload):
+    print(payload)
+    spectrum = radis.calc_spectrum(
+            payload.min_wavenumber_range,
+            payload.max_wavenumber_range,
+            molecule=[species.molecule for species in payload.species],
+            mole_fraction={
+                species.molecule: species.mole_fraction for species in payload.species
+            },
+            # TODO: Hard-coding "1,2,3" as the isotopologue for the time-being
+            isotope={species.molecule: "1,2,3" for species in payload.species},
+            pressure=payload.pressure,
+            Tgas=payload.tgas,
+            Tvib=payload.tvib,
+            Trot=payload.trot,
+            path_length=payload.path_length,
+            export_lines=False,
+            wstep="auto",
+            databank=payload.database,
+            use_cached=True,
+        )
+    return spectrum
+
+
 
 
 @app.post("/calculate-spectrum")
-async def calculate_spectrum(payload: Payload):
+async def cal_spectrum(payload: Payload):
     print(payload)
 
     try:
@@ -62,6 +89,7 @@ async def calculate_spectrum(payload: Payload):
             use_cached=True,
         )
         if payload.use_simulate_slit is True:
+            print("Applying simulate slit")
             spectrum.apply_slit(payload.simulate_slit, "nm")
 
     except radis.misc.warning.EmptyDatabaseError:
@@ -94,3 +122,28 @@ async def calculate_spectrum(payload: Payload):
                 "units": spectrum.units[payload.mode],
             },
         }
+
+#[Date] _[database] _[molecule]_[temperature]K_[pressure]atm
+@app.get("/download_spectrum")
+async def download_spec(payload: Payload):
+    print(payload)
+    date = datetime.datetime.now().strftime("%Y_%m_%d_%H_%M_%S");
+    file_name = f"create_spectrum/{date}_{payload.database}_{payload.tgas}k_{payload.pressure}atm.spec"
+    # file_path=f"create_spectrum/{file_name}"
+    print(f".spec file is created here{file_name}")
+
+    try:
+        spectrum = calculate_spectrum(payload)
+
+        if payload.use_simulate_slit is True:
+            print("Applying simulate slit")
+            spectrum.apply_slit(payload.simulate_slit, "nm")
+    except radis.misc.warning.EmptyDatabaseError:
+        return {"error": "No line in the specified wavenumber range"}
+    except Exception as exc:
+        print("Error", exc)
+        return {"error": str(exc)}
+    else:
+        spectrum.store(file_name, compress=True, if_exists_then='replace')
+        return FileResponse(file_name, media_type='application/octet-stream', filename=file_name)
+