v1.0.0-rc.81

frontend/src/components/DataProcessingSettings.tsx

@@ -25,7 +25,8 @@ class DataProcessingSettings extends Component<MyProps, MyState> {
             high_resolution_limit: 2.5,
             low_resolution_limit: 20.0,
             quick_integration: false,
-            high_resolution_limit_for_spot_count_low_res: 5.0
+            high_resolution_limit_for_spot_count_low_res: 5.0,
+            ice_ring_width_q_recipA: 0.02
         }
     }
 
@@ -80,6 +81,13 @@ class DataProcessingSettings extends Component<MyProps, MyState> {
         this.props.update();
     }
 
+    setIceRingWidth = (event: Event, newValue: number | number[]) => {
+        this.setState(prevState => ({s: {
+                ...prevState.s,
+                ice_ring_width_q_recipA: newValue as number
+            }}), () => {this.putValues(this.state.s);});
+        this.props.update();
+    }
     enableSpotFindingToggle = (event: React.ChangeEvent<HTMLInputElement>) => {
         this.setState(prevState => ({s: {...prevState.s, enable: event.target.checked}}),
             () => {this.putValues(this.state.s);});
@@ -97,7 +105,7 @@ class DataProcessingSettings extends Component<MyProps, MyState> {
         this.props.update();
     }
     render() {
-        return <Paper style={{textAlign: 'center'}} sx={{ height: 750, width: '100%' }}>
+        return <Paper style={{textAlign: 'center'}} sx={{ height: 800, width: '100%' }}>
                     <Grid container spacing={0}>
 
                         <Grid item xs={1}/>
@@ -144,6 +152,14 @@ class DataProcessingSettings extends Component<MyProps, MyState> {
                                     valueLabelFormat={(value) => value.toFixed(1)}
                             />
                             <br/><br/>
+                            <Typography> Ice ring width in Q-space [&#8491;<sup>-1</sup>] </Typography>
+                            <Slider disabled={!this.state.s.enable}
+                                    value={Number(this.state.s.ice_ring_width_q_recipA)}
+                                    onChange={this.setIceRingWidth}
+                                    min={0.0} max={0.2} step={0.001} valueLabelDisplay="auto"
+                                    valueLabelFormat={(value) => value.toFixed(1)}
+                            />
+                            <br/><br/>
                             <Switch onChange={this.enableIndexingToggle}
                                     checked={this.state.s.indexing}
                                     disabled={!this.state.s.enable}/>

frontend/src/components/IndexingSettings.tsx

@@ -1,6 +1,6 @@
 import React, {Component} from 'react';
 
-import {Stack, Typography} from "@mui/material";
+import {Stack, Typography, FormControlLabel, Checkbox} from "@mui/material";
 import Paper from "@mui/material/Paper";
 import FormControl from "@mui/material/FormControl";
 import InputLabel from "@mui/material/InputLabel";
@@ -38,7 +38,8 @@ const default_indexing_settings: indexing_settings = {
     fft_num_vectors: 16384,
     tolerance: 0.1,
     thread_count: 4,
-    unit_cell_dist_tolerance: 0.05
+    unit_cell_dist_tolerance: 0.05,
+    index_ice_rings: false
 };
 class IndexingSettings extends Component<MyProps, MyState> {
     state : MyState = {
@@ -130,8 +131,9 @@ class IndexingSettings extends Component<MyProps, MyState> {
                             value={this.state.s.algorithm}
                             onChange={this.handleAlgorithmChange}
                         >
-                            <MenuItem value={indexing_algorithm.FFBIDX}>FFBIDX (known unit cell)</MenuItem>
-                            <MenuItem value={indexing_algorithm.FFT}>FFT (guess unit cell)</MenuItem>
+                            <MenuItem value={indexing_algorithm.FFBIDX}>FFBIDX (known unit cell) - GPU</MenuItem>
+                            <MenuItem value={indexing_algorithm.FFT}>FFT (guess unit cell) - GPU</MenuItem>
+                            <MenuItem value={indexing_algorithm.FFT}>FFT (guess unit cell) - CPU</MenuItem>
                             <MenuItem value={indexing_algorithm.AUTO}>Auto (FFBIDX if unit cell provided, FFT otherwise)</MenuItem>
                             <MenuItem value={indexing_algorithm.NONE}>No indexing</MenuItem>
                         </Select>
@@ -176,6 +178,19 @@ class IndexingSettings extends Component<MyProps, MyState> {
                         <MenuItem value={geom_refinement_algorithm.BEAM_CENTER_SYMMETRY}>Beam center is refined (constrained for orthorhombic/tetragonal/cubic/hexagonal cells)</MenuItem>
                     </Select>
                 </FormControl>
+                <FormControlLabel
+                    control={
+                        <Checkbox
+                            checked={this.state.s.index_ice_rings}
+                            onChange={(event) => {
+                                this.setState(prevState => ({
+                                    s: {...prevState.s, index_ice_rings: event.target.checked}
+                                }));
+                            }}
+                        />
+                    }
+                    label="Index ice rings"
+                />
                 <b>FFT indexing settings</b>
                 <Stack spacing={2} direction="row" sx={{width: '80%'}}>
                     <NumberTextField start_val={this.state.s.fft_min_unit_cell_A}