init patched to assert sorted maps

.gitignore

@@ -313,4 +313,7 @@ yarn-debug.log*
 !./gateway/frontend/lib/
 
 # gorm
-gateway/gorm.db
+gateway/gorm.db
+
+# dev script debugging
+*.csv

internal/ipwl/initialize_io.go

@@ -5,6 +5,7 @@ import (
 	"log"
 	"os"
 	"path/filepath"
+	"sort"
 	"strings"
 
 	"github.com/labdao/plex/internal/ipfs"
@@ -92,10 +93,16 @@ func dotProductScattering(inputVectors map[string][]string) ([][]string, error)
 	}
 
 	var inputsList [][]string
+	keys := make([]string, 0, len(inputVectors))
+	for k := range inputVectors {
+		keys = append(keys, k)
+	}
+	sort.Strings(keys)
+
 	for i := 0; i < vectorLength; i++ {
 		tmp := []string{}
-		for _, v := range inputVectors {
-			tmp = append(tmp, v[i])
+		for _, k := range keys {
+			tmp = append(tmp, inputVectors[k][i])
 		}
 		inputsList = append(inputsList, tmp)
 	}
@@ -124,6 +131,8 @@ func crossProductScattering(inputVectors map[string][]string) ([][]string, error
 	for k := range inputVectors {
 		keys = append(keys, k)
 	}
+	sort.Strings(keys)
+
 	arrays := make([][]string, len(inputVectors))
 	for i, k := range keys {
 		arrays[i] = inputVectors[k]
@@ -148,6 +157,9 @@ func createSingleIo(inputs []string, tool Tool, toolInfo ToolInfo, userId string
 		inputKeys = append(inputKeys, k)
 	}
 
+	// Sort the inputKeys slice to ensure a consistent order
+	sort.Strings(inputKeys)
+
 	for i, inputValue := range inputs {
 		inputKey := inputKeys[i]
 

run_plex_multiple.sh

@@ -0,0 +1,108 @@
+#!/bin/bash
+
+# Initialize variables with default values
+total_jobs=10
+gpu=false
+autoRun=true
+selected_tool="equibind"
+
+# Parse command-line options
+while getopts ":n:g:a:" opt; do
+  case $opt in
+    n)
+      total_jobs="$OPTARG"
+      ;;
+    g)
+      gpu="$OPTARG"
+      ;;
+    a)
+      autoRun="$OPTARG"
+      ;;
+    \?)
+      echo "Invalid option: -$OPTARG" >&2
+      exit 1
+      ;;
+    :)
+      echo "Option -$OPTARG requires an argument." >&2
+      exit 1
+      ;;
+  esac
+done
+
+# Set the selected_tool and plex_command based on the options
+if [ "$autoRun" = "true" ]; then
+    if [ "$gpu" = "true" ]; then
+      selected_tool="colabfold"
+      plex_command="./plex init -t tools/colabfold-mini.json -i \"{\\\"sequence\\\": [\\\"testdata/folding/test.fasta\\\"]}\" --scatteringMethod=dotProduct --autoRun=true -a test -a debug"
+    else
+      plex_command="./plex init -t tools/equibind.json -i \"{\\\"protein\\\": [\\\"testdata/binding/abl/7n9g.pdb\\\"], \\\"small_molecule\\\": [\\\"testdata/binding/abl/ZINC000003986735.sdf\\\"]}\" --scatteringMethod=dotProduct --autoRun=true -a test -a debug"
+    fi
+else
+    if [ "$gpu" = "true" ]; then
+      selected_tool="colabfold"
+      plex_command="./plex run -i QmZmxyfb8aTr2pY28GgWgEJomr9fSWhkhTK19x7FmsjZPn -a test -a debug"
+    else
+      plex_command="./plex run -i QmbbJcDA7LVCZPiTwMatU4JgSHwTnZfVjEs3SnSMK5EnG1 -a test -a debug"
+    fi
+fi
+
+# Initialize the output table file based on selected_tool
+output_file="multiple_${selected_tool}_runs.csv"
+
+# Write the table header to the output file
+echo "Run,Stdout,Successful run,Bacalhau job ID,Error message" > "$output_file"
+
+# Counter for completed jobs
+completed_jobs=0
+
+# Counter for successful and failed jobs
+successful_jobs=0
+failed_jobs=0
+
+echo "Running $total_jobs $selected_tool jobs..."
+
+# Loop to run the plex command
+for i in $(seq 1 $total_jobs); do
+    # Run the plex command and capture its stdout
+    stdout=$(eval $plex_command)
+
+    # Initialize Bacalhau job ID and Error message as empty
+    bacalhau_id=""
+    error_message=""
+
+    # Parse Bacalhau job ID
+    if [[ "$stdout" =~ "Bacalhau job id: ([a-zA-Z0-9-]+)" ]]; then
+        bacalhau_id=${BASH_REMATCH[1]}
+    fi
+
+    # Determine if the run was successful or failed
+    if [[ "$stdout" == *"Success processing IO entry 0"* ]]; then
+        success="True"
+        successful_jobs=$((successful_jobs + 1))
+    else
+        success="False"
+        failed_jobs=$((failed_jobs + 1))
+
+        # Parse Error message
+        if [[ "$stdout" =~ "error updating IO with result: (.+)$" ]]; then
+            error_message=${BASH_REMATCH[1]}
+        fi
+    fi
+
+    # Append the run number, the captured stdout, and other parsed data to the output table
+    echo "\"$i\",\"$(echo "$stdout" | sed 's/"/\\"/g')\",\"$success\",\"$bacalhau_id\",\"$error_message\"" >> "$output_file"
+
+    # Update completed jobs counter
+    completed_jobs=$((completed_jobs + 1))
+
+    # Calculate percentage of completion and display loading bar and success/failure counts
+    percent_completed=$(awk "BEGIN { pc=100*${completed_jobs}/${total_jobs}; i=int(pc); print (pc-i<0.5)?i:i+1 }")
+
+    # Calculate the success percentage
+    success_percentage=$(awk "BEGIN { pc=100*${successful_jobs}/${completed_jobs}; i=int(pc); print (pc-i<0.5)?i:i+1 }")
+
+    echo -ne "Processing: ${percent_completed}% | Successful: $successful_jobs | Failed: $failed_jobs | Success Percentage: ${success_percentage}%\r"
+done
+
+# Display 100% when all jobs are done
+echo -ne "Processing: 100% | Successful: $successful_jobs | Failed: $failed_jobs | Success Percentage: ${success_percentage}%\n"