cue: calibration calculator — solution prep, conductivity, cell constant from EIS

cue/src/app.rs

@@ -31,6 +31,7 @@ pub enum Tab {
     Amp,
     Chlorine,
     Ph,
+    Calibrate,
     Browse,
 }
 
@@ -97,6 +98,13 @@ pub enum Message {
     /* pH */
     PhStabilizeChanged(String),
     StartPh,
+    /* Calibration */
+    CalVolumeChanged(String),
+    CalNaclChanged(String),
+    CalClChanged(String),
+    CalBleachChanged(String),
+    CalTempChanged(String),
+    CalComputeK,
     /* Global */
     PollTemp,
     NativeMenuTick,
@@ -221,6 +229,14 @@ pub struct App {
     clean_v: String,
     clean_dur: String,
 
+    /* Calibration */
+    cal_volume_gal: String,
+    cal_nacl_ppm: String,
+    cal_cl_ppm: String,
+    cal_bleach_pct: String,
+    cal_temp_c: String,
+    cal_cell_constant: Option<f32>,
+
     /* Global */
     temp_c: f32,
     midi_gen: u64,
@@ -271,6 +287,34 @@ fn fmt_cl(pts: &[ClPoint]) -> String {
     s
 }
 
+fn calc_salt_grams(volume_gal: f32, target_ppm: f32) -> f32 {
+    let liters = volume_gal * 3.78541;
+    target_ppm * liters / 1000.0
+}
+
+fn calc_bleach_ml(volume_gal: f32, target_cl_ppm: f32, bleach_pct: f32) -> f32 {
+    let liters = volume_gal * 3.78541;
+    let cl_needed_mg = target_cl_ppm * liters;
+    let bleach_mg_per_ml = bleach_pct * 10.0;
+    cl_needed_mg / bleach_mg_per_ml
+}
+
+fn theoretical_conductivity_ms_cm(nacl_ppm: f32, temp_c: f32) -> f32 {
+    let kappa_25 = nacl_ppm * 2.0 / 1000.0;
+    kappa_25 * (1.0 + 0.0212 * (temp_c - 25.0))
+}
+
+fn extract_rs(eis_points: &[EisPoint]) -> Option<f32> {
+    eis_points.iter()
+        .map(|p| p.z_real)
+        .filter(|r| r.is_finite() && *r > 0.0)
+        .min_by(|a, b| a.partial_cmp(b).unwrap())
+}
+
+fn cell_constant(kappa_ms_cm: f32, rs_ohm: f32) -> f32 {
+    (kappa_ms_cm / 1000.0) * rs_ohm
+}
+
 const SQUIRCLE: f32 = 8.0;
 
 fn btn_style(bg: Color, fg: Color) -> impl Fn(&Theme, button::Status) -> ButtonStyle {
@@ -417,6 +461,13 @@ impl App {
             clean_v: "1200".into(),
             clean_dur: "30".into(),
 
+            cal_volume_gal: "25".into(),
+            cal_nacl_ppm: "2500".into(),
+            cal_cl_ppm: "5".into(),
+            cal_bleach_pct: "7.825".into(),
+            cal_temp_c: "40".into(),
+            cal_cell_constant: None,
+
             temp_c: 25.0,
             midi_gen: 0,
             transport: TransportMode::Midi,
@@ -717,7 +768,7 @@ impl App {
                         Tab::Lsv => self.lsv_data.perform(action),
                         Tab::Amp => self.amp_data.perform(action),
                         Tab::Chlorine => self.cl_data.perform(action),
-                        Tab::Ph | Tab::Browse => {}
+                        Tab::Ph | Tab::Calibrate | Tab::Browse => {}
                     }
                 }
             }
@@ -870,7 +921,7 @@ impl App {
                     Tab::Amp => { self.amp_ref = None; self.status = "Amp reference cleared".into(); }
                     Tab::Chlorine => { self.cl_ref = None; self.status = "Chlorine reference cleared".into(); }
                     Tab::Ph => { self.ph_ref = None; self.status = "pH reference cleared".into(); }
-                    Tab::Browse => {}
+                    Tab::Calibrate | Tab::Browse => {}
                 }
             }
             /* Global */
@@ -887,6 +938,24 @@ impl App {
             Message::CloseSysInfo => {
                 self.show_sysinfo = false;
             }
+            /* Calibration */
+            Message::CalVolumeChanged(s) => self.cal_volume_gal = s,
+            Message::CalNaclChanged(s) => self.cal_nacl_ppm = s,
+            Message::CalClChanged(s) => self.cal_cl_ppm = s,
+            Message::CalBleachChanged(s) => self.cal_bleach_pct = s,
+            Message::CalTempChanged(s) => self.cal_temp_c = s,
+            Message::CalComputeK => {
+                let ppm = self.cal_nacl_ppm.parse::<f32>().unwrap_or(2500.0);
+                let temp = self.cal_temp_c.parse::<f32>().unwrap_or(40.0);
+                let kappa = theoretical_conductivity_ms_cm(ppm, temp);
+                if let Some(rs) = extract_rs(&self.eis_points) {
+                    let k = cell_constant(kappa, rs);
+                    self.cal_cell_constant = Some(k);
+                    self.status = format!("Cell constant: {:.4} cm-1 (Rs={:.1} ohm)", k, rs);
+                } else {
+                    self.status = "No valid EIS data for Rs extraction".into();
+                }
+            }
             /* Clean */
             Message::CleanVChanged(s) => self.clean_v = s,
             Message::CleanDurChanged(s) => self.clean_dur = s,
@@ -1128,6 +1197,7 @@ impl App {
             tab_btn("Amperometry", Tab::Amp, self.tab == Tab::Amp),
             tab_btn("Chlorine", Tab::Chlorine, self.tab == Tab::Chlorine),
             tab_btn("pH", Tab::Ph, self.tab == Tab::Ph),
+            tab_btn("Cal", Tab::Calibrate, self.tab == Tab::Calibrate),
             tab_btn("Browse", Tab::Browse, self.tab == Tab::Browse),
         ]
         .spacing(4)
@@ -1158,7 +1228,7 @@ impl App {
             Tab::Amp => self.amp_ref.is_some(),
             Tab::Chlorine => self.cl_ref.is_some(),
             Tab::Ph => self.ph_ref.is_some(),
-            Tab::Browse => false,
+            Tab::Calibrate | Tab::Browse => false,
         };
         let has_data = match self.tab {
             Tab::Eis => !self.eis_points.is_empty(),
@@ -1166,7 +1236,7 @@ impl App {
             Tab::Amp => !self.amp_points.is_empty(),
             Tab::Chlorine => self.cl_result.is_some(),
             Tab::Ph => self.ph_result.is_some(),
-            Tab::Browse => false,
+            Tab::Calibrate | Tab::Browse => false,
         };
 
         let mut ref_row = row![].spacing(4).align_y(iced::Alignment::Center);
@@ -1264,6 +1334,8 @@ impl App {
             self.view_browse_body()
         } else if self.tab == Tab::Ph {
             self.view_ph_body()
+        } else if self.tab == Tab::Calibrate {
+            self.view_cal_body()
         } else {
             pane_grid::PaneGrid::new(&self.panes, |_pane, &pane_id, _maximized| {
                 let el = match pane_id {
@@ -1501,7 +1573,7 @@ impl App {
             .align_y(iced::Alignment::End)
             .into(),
 
-            Tab::Browse => row![].into(),
+            Tab::Calibrate | Tab::Browse => row![].into(),
         }
     }
 
@@ -1561,7 +1633,7 @@ impl App {
                     column![result_text, plot].spacing(4).height(Length::Fill).into()
                 }
             }
-            Tab::Ph | Tab::Browse => text("").into(),
+            Tab::Ph | Tab::Calibrate | Tab::Browse => text("").into(),
         }
     }
 
@@ -1571,7 +1643,7 @@ impl App {
             Tab::Lsv => &self.lsv_data,
             Tab::Amp => &self.amp_data,
             Tab::Chlorine => &self.cl_data,
-            Tab::Ph | Tab::Browse => return text("").into(),
+            Tab::Ph | Tab::Calibrate | Tab::Browse => return text("").into(),
         };
         text_editor(content)
             .on_action(Message::DataAction)
@@ -1582,6 +1654,86 @@ impl App {
             .into()
     }
 
+    fn view_cal_body(&self) -> Element<'_, Message> {
+        let vol = self.cal_volume_gal.parse::<f32>().unwrap_or(0.0);
+        let ppm = self.cal_nacl_ppm.parse::<f32>().unwrap_or(0.0);
+        let cl = self.cal_cl_ppm.parse::<f32>().unwrap_or(0.0);
+        let bleach = self.cal_bleach_pct.parse::<f32>().unwrap_or(7.825);
+        let temp = self.cal_temp_c.parse::<f32>().unwrap_or(40.0);
+
+        let salt_g = calc_salt_grams(vol, ppm);
+        let salt_tbsp = salt_g / 17.0;
+        let bleach_ml = calc_bleach_ml(vol, cl, bleach);
+        let bleach_tsp = bleach_ml / 5.0;
+        let kappa = theoretical_conductivity_ms_cm(ppm, temp);
+
+        let inputs = column![
+            text("Calibration Solution").size(16),
+            iced::widget::horizontal_rule(1),
+            row![
+                column![
+                    text("Volume (gal)").size(12),
+                    text_input("25", &self.cal_volume_gal)
+                        .on_input(Message::CalVolumeChanged).width(80),
+                ].spacing(2),
+                column![
+                    text("NaCl ppm").size(12),
+                    text_input("2500", &self.cal_nacl_ppm)
+                        .on_input(Message::CalNaclChanged).width(80),
+                ].spacing(2),
+                column![
+                    text("Cl ppm").size(12),
+                    text_input("5", &self.cal_cl_ppm)
+                        .on_input(Message::CalClChanged).width(80),
+                ].spacing(2),
+                column![
+                    text("Bleach %").size(12),
+                    text_input("7.825", &self.cal_bleach_pct)
+                        .on_input(Message::CalBleachChanged).width(80),
+                ].spacing(2),
+                column![
+                    text("Temp C").size(12),
+                    text_input("40", &self.cal_temp_c)
+                        .on_input(Message::CalTempChanged).width(80),
+                ].spacing(2),
+            ].spacing(10).align_y(iced::Alignment::End),
+        ].spacing(6);
+
+        let mut results = column![
+            text("Results").size(16),
+            iced::widget::horizontal_rule(1),
+            text(format!("Salt: {:.1} g  ({:.1} tbsp sea salt)", salt_g, salt_tbsp)).size(14),
+            text(format!("Bleach: {:.1} mL  ({:.1} tsp)", bleach_ml, bleach_tsp)).size(14),
+            text(format!("Theoretical kappa at {:.0} C: {:.3} mS/cm", temp, kappa)).size(14),
+        ].spacing(4);
+
+        let rs = extract_rs(&self.eis_points);
+        if let Some(rs_val) = rs {
+            results = results.push(text(format!("Rs from sweep: {:.1} ohm", rs_val)).size(14));
+        } else {
+            results = results.push(text("Rs from sweep: (no EIS data)").size(14));
+        }
+
+        if let Some(k) = self.cal_cell_constant {
+            results = results.push(text(format!("Cell constant K: {:.4} cm-1", k)).size(14));
+        }
+
+        let compute_btn = button(text("Calculate K from Sweep").size(13))
+            .style(style_action())
+            .padding([6, 16])
+            .on_press(Message::CalComputeK);
+        results = results.push(compute_btn);
+
+        row![
+            container(inputs).width(Length::FillPortion(2)),
+            iced::widget::vertical_rule(1),
+            container(results).width(Length::FillPortion(3)),
+        ]
+        .spacing(12)
+        .height(Length::Fill)
+        .into()
+    }
+
     fn view_ph_body(&self) -> Element<'_, Message> {
         if let Some(r) = &self.ph_result {
             let nernst_slope = 0.1984 * (r.temp_c as f64 + 273.15);