round lattice parameters from materials project (#61)

Author: jacobfilik

web-conexs-client/src/components/crystals/MatProjCrystalViewer.tsx

@@ -1,7 +1,7 @@
 import { useMutation, useQuery, useQueryClient } from "@tanstack/react-query";
 import { getMatProjStructure, postCrystal } from "../../queryfunctions";
-import { Button, Stack, Typography } from "@mui/material";
-import React from "react";
+import { Button, Checkbox, Stack, Typography } from "@mui/material";
+import React, { useState } from "react";
 import { useNavigate } from "react-router-dom";
 import XYZCrystalViewer from "./XYZCrystalViewer";
 import { MolStarCrystalWrapper } from "../MolstarCrystalViewer";
@@ -15,6 +15,12 @@ function MatProjCrystalViewer(props: { mpid: string }) {
     retry: false,
   });
 
+  const [checked, setChecked] = useState(false);
+
+  const handleChange = (event: React.ChangeEvent<HTMLInputElement>) => {
+    setChecked(event.target.checked);
+  };
+
   const navigate = useNavigate();
   const queryClient = useQueryClient();
 
@@ -55,10 +61,31 @@ function MatProjCrystalViewer(props: { mpid: string }) {
           labelledAtomIndex={undefined}
         ></MolStarCrystalWrapper>
       </Stack>
+      <Stack direction="row" alignItems="center">
+        <Checkbox checked={checked} onChange={handleChange}></Checkbox>
+        <Typography>Round Lattice Parameters to 4 Decimal Places</Typography>
+      </Stack>
       <Button
         variant="contained"
         onClick={() => {
-          mutation.mutate(query.data);
+          const structure = query.data;
+
+          if (checked) {
+            structure.lattice.a =
+              Math.round(structure.lattice.a * 10000.0) / 10000.0;
+            structure.lattice.b =
+              Math.round(structure.lattice.b * 10000.0) / 10000.0;
+            structure.lattice.c =
+              Math.round(structure.lattice.c * 10000.0) / 10000.0;
+            structure.lattice.alpha =
+              Math.round(structure.lattice.alpha * 10000.0) / 10000.0;
+            structure.lattice.beta =
+              Math.round(structure.lattice.beta * 10000.0) / 10000.0;
+            structure.lattice.gamma =
+              Math.round(structure.lattice.gamma * 10000.0) / 10000.0;
+          }
+
+          mutation.mutate(structure);
         }}
       >
         Create Crystal