Made Instanced Version of Stick/Ball Model from Blender Molecular Nodes CSV

VIRTUOS_ExpansionPluginTests/Source/VRExpPluginExample/EmptyClassForProject.cpp

@@ -1,12 +0,0 @@
-// Fill out your copyright notice in the Description page of Project Settings.
-
-//#include "VRExpPluginExample.h"
-#include "EmptyClassForProject.h"
-
-EmptyClassForProject::EmptyClassForProject()
-{
-}
-
-EmptyClassForProject::~EmptyClassForProject()
-{
-}

VIRTUOS_ExpansionPluginTests/Source/VRExpPluginExample/EmptyClassForProject.h

@@ -1,27 +0,0 @@
-// Fill out your copyright notice in the Description page of Project Settings.
-
-#pragma once
-#include "VRCharacter.h"
-#include "GripMotionControllerComponent.h"
-#include "VRBPDatatypes.h"
-#include "VRGripInterface.h"
-#include "VRPlayerController.h"	
-#include "VRExpansionFunctionLibrary.h"
-#include "Grippables/GrippableBoxComponent.h"
-#include "VRStereoWidgetComponent.h"
-#include "VRCharacterMovementComponent.h"
-#include "Misc/VRLogComponent.h"
-#include "VRAIController.h"
-#include "VRPathFollowingComponent.h"
-#include "VRRootComponent.h"
-
-/**
- * 
- */
-class VREXPPLUGINEXAMPLE_API EmptyClassForProject
-{
-public:
-	EmptyClassForProject();
-	~EmptyClassForProject();
-
-};

VIRTUOS_ExpansionPluginTests/Source/VRExpPluginExample/Private/MoleculeFunctionLIbrary.cpp

@@ -0,0 +1,61 @@
+#include "MoleculeFunctionLibrary.h"
+#include "Misc/Paths.h"
+#include "Misc/FileHelper.h"
+
+bool UMoleculeFunctionLibrary::ParsePDBFromString(const FString& PDBContent, TArray<FAtom>& OutAtoms, TArray<FBond>& OutBonds)
+{
+	OutAtoms.Empty();
+	OutBonds.Empty();
+
+	if (PDBContent.IsEmpty())
+	{
+		UE_LOG(LogTemp, Warning, TEXT("ParsePDBFromString: Input string is empty"));
+		return false;
+	}
+
+	TArray<FString> Lines;
+	PDBContent.ParseIntoArrayLines(Lines, true);
+
+	for (const FString& Line : Lines)
+	{
+		if (!Line.StartsWith(TEXT("ATOM")) && !Line.StartsWith(TEXT("HETATM")))
+			continue;
+
+		if (Line.Len() < 54) // At least enough for X, Y, Z
+			continue;
+
+		FAtom Atom;
+
+		// Coordinates (columns are 1-indexed in spec)
+		Atom.Position.X = FCString::Atof(*Line.Mid(30, 8));
+		Atom.Position.Y = FCString::Atof(*Line.Mid(38, 8));
+		Atom.Position.Z = FCString::Atof(*Line.Mid(46, 8));
+
+		// Element symbol (columns 77-78), fallback to atom name (columns 13-16)
+		if (Line.Len() >= 78)
+			Atom.Element = Line.Mid(76, 2).TrimStartAndEnd();
+		if (Atom.Element.IsEmpty())
+			Atom.Element = Line.Mid(12, 4).TrimStartAndEnd().Left(1); // fallback
+
+		OutAtoms.Add(Atom);
+	}
+
+	// Bond inference: simple distance-based
+	const float MaxBondDistance = 1.6f; // can tweak for different atom types
+	for (int32 i = 0; i < OutAtoms.Num(); i++)
+	{
+		for (int32 j = i + 1; j < OutAtoms.Num(); j++)
+		{
+			if (FVector::Distance(OutAtoms[i].Position, OutAtoms[j].Position) <= MaxBondDistance)
+			{
+				FBond Bond;
+				Bond.AtomIndex1 = i;
+				Bond.AtomIndex2 = j;
+				OutBonds.Add(Bond);
+			}
+		}
+	}
+
+	UE_LOG(LogTemp, Log, TEXT("Parsed %d atoms and %d bonds from string"), OutAtoms.Num(), OutBonds.Num());
+	return true;
+}

VIRTUOS_ExpansionPluginTests/Source/VRExpPluginExample/Private/MoleculeFunctionLIbrary.h

@@ -0,0 +1,52 @@
+#pragma once
+
+#include "CoreMinimal.h"
+#include "Kismet/BlueprintFunctionLibrary.h"
+#include "MoleculeFunctionLibrary.generated.h"
+
+/**
+ * Struct representing an atom
+ */
+USTRUCT(BlueprintType)
+struct FAtom
+{
+	GENERATED_BODY()
+
+	UPROPERTY(BlueprintReadWrite, Category="Molecule")
+	FString Element;
+
+	UPROPERTY(BlueprintReadWrite, Category="Molecule")
+	FVector Position; // Unreal coordinates
+};
+
+/**
+ * Struct representing a bond
+ */
+USTRUCT(BlueprintType)
+struct FBond
+{
+	GENERATED_BODY()
+
+	UPROPERTY(BlueprintReadWrite, Category="Molecule")
+	int32 AtomIndex1;
+
+	UPROPERTY(BlueprintReadWrite, Category="Molecule")
+	int32 AtomIndex2;
+};
+
+/**
+ * Blueprint Function Library to parse PDB strings
+ */
+UCLASS()
+class UMoleculeFunctionLibrary : public UBlueprintFunctionLibrary
+{
+	GENERATED_BODY()
+
+public:
+
+	/**
+	 * Parses a PDB string and outputs arrays of atoms and bonds
+	 */
+	UFUNCTION(BlueprintCallable, Category="Molecule")
+	static bool ParsePDBFromString(const FString& PDBContent, TArray<FAtom>& OutAtoms, TArray<FBond>& OutBonds);
+};