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false +# how often reset centre of mass +stab_interval = 100 +# lennard jones parameters +lennardE = 15 +lennardS = 0.5 +# boundary details +boundary = 30.0 +# save to disk every n time steps +saveInterval = 200 + +# format: after an initial config block, +# every block is one object, with the name being in square brackets +# mandatory fields: + # pos (vector) - initial position + # vel (vector) - initial velocity + # mass - its mass + +[random] +count = 80 +xmin = -29.0 +xmax = 29.0 +ymin = -29.0 +ymax = 29.0 +vmax = 0.0 diff --git a/linalg.nim b/linalg.nim new file mode 100644 index 0000000..fd82ea1 --- /dev/null +++ b/linalg.nim @@ -0,0 +1,46 @@ +import math +import strformat + +type + Vector* = object + x*: float + y*: float + +func vector*(x, y: float): Vector = + Vector(x: x, y: y) + +func `+`*(a, b: Vector): Vector = + Vector(x: a.x + b.x, y: a.y + b.y) + +func `-`*(a: Vector): Vector = + Vector(x: -a.x, y: -a.y) + +func `-`*(a, b: Vector): Vector = + a + (-b) + +func `*`*(a: Vector, f: float): Vector = + Vector(x: a.x * f, y: a.y * f) + +func `*`*(f: float, a: Vector): Vector = + a * f + +func dot*(a, b: Vector): float = + a.x * b.x + a.y * b.y + +func len*(a: Vector): float = + sqrt(dot(a, a)) + +func `/`*(a: Vector, f: float): Vector = + a * (1/f) + +func normalize*(a: Vector): Vector = + a / a.len + +func `+=`*(a: var Vector, b: Vector) = + a = a + b + +func `-=`*(a: var Vector, b: Vector) = + a = a - b + +func `$`*(a: Vector): string = + &"[{a.x}, {a.y}]" diff --git a/main.nim b/main.nim new file mode 100644 index 0000000..9900d79 --- /dev/null +++ b/main.nim @@ -0,0 +1,178 @@ +import linalg +import parsetoml + +import math +import strformat +import random + +# define types +type + Particle = object + name: string + pos: Vector + vel: Vector + acc: Vector + mass: float + +# read input file +let input = parsetoml.parseString("input.toml".readFile()) + +# initialize variables based on input file +let config = input["config"] +var t = 0.0 # current time +let dt = config["dt"].getFloat() +let maxt = config["t"].getFloat() +let gravConst = config["G"].getFloat() +let gravAcc = config["g"].getFloat() +let stabilizeMassCentre = config["stab_mass"].getBool() +let stabInterval = config["stab_interval"].getInt() +var stabCounter = 0 +let lennardE = config["lennardE"].getFloat() +let lennardS = config["lennardS"].getFloat() +let boundary = config["boundary"].getFloat() +let saveInterval = config["saveInterval"].getInt() +# a thing that runs every 100 frames to move the centre of mass back to the original one +var particles: seq[Particle] = @[] + +# process the rest of the input file +for key, val in input.tableVal.pairs: + if key == "config": + continue + elif key == "random": + let count = val["count"].getInt() + let xmin = val["xmin"].getFloat() + let xmax = val["xmax"].getFloat() + let ymin = val["ymin"].getFloat() + let ymax = val["ymax"].getFloat() + let vmax = val["vmax"].getFloat() + for i in 0..count: + block thisPart: + var particle = Particle(name: "random") + var pass = false + var attempt = 0 + while not pass: + inc attempt + if attempt > 10: + break thisPart + particle.pos = vector(rand(xmax-xmin)+xmin, rand(ymax-ymin)+ymin) + pass = true + for p in particles: + if (p.pos - particle.pos).len() < lennardS * 2.5: + pass = false + break + particle.vel = vector(rand(vmax), rand(vmax)) + particle.acc = vector(0.0, 0.0) + particle.mass = 1.0 + particles.add(particle) + else: + let x: float = val["pos"][0].getFloat() + let y: float = val["pos"][1].getFloat() + let vx: float = val["vel"][0].getFloat() + let vy: float = val["vel"][1].getFloat() + let pos = vector(x, y) + let vel = vector(vx, vy) + let mass = val["mass"].getFloat() + let particle = Particle(name: key, pos: pos, vel: vel, acc: vector(0,0), mass: mass) + particles.add(particle) + +# open the output file +let f = open("output.txt", fmWrite) +# do the simulation, writing results to a file (streaming) +f.writeLine("mdsim input file: input.toml") +proc oupStatus = + # output current status + var status: string = "" + for i in 0..particles.high: + status &= &"{particles[i].name} {$particles[i].pos} {$particles[i].vel} " + f.writeLine(&"{t} {status}") + +oupStatus() + +proc getForces(index: int): Vector = + result = vector(0, 0) + let posThis = particles[index].pos + let mThis = particles[index].mass + for i in 0..particles.high: + if i == index: + continue + let diff = particles[i].pos - posThis + let direction = diff.normalize() + let distance = diff.len() + let mThat = particles[i].mass + + # gravity between particles + # m2 * C / r^2 (so it's acceleartion, mass of this doesn't apply) + result += direction * (mThat * gravConst / distance / distance) + + # Lennard-Jones + # F = 4e (6s^6/r^7 - 12s^12/r^13) + result -= direction * (4f * lennardE * (6.0 * (lennardS^6)/(distance^7) - 12.0 * (lennardS^12)/(distance^13))) / mThis + + result += vector(0, gravAcc) + +proc keepInside(index: int) = + let posThis = particles[index].pos + let velThis = particles[index].vel + + if posThis.x > boundary and velThis.x > 0: + particles[index].vel.x = -velThis.x + + if posThis.x < -boundary and velThis.x < 0: + particles[index].vel.x = -velThis.x + + if posThis.y > boundary and velThis.y > 0: + particles[index].vel.y = -velThis.y + + if posThis.y < -boundary and velThis.y < 0: + particles[index].vel.y = -velThis.y + + +proc getCentreOfMass(): Vector = + var totMass = 0.0 + result = vector(0.0, 0.0) + for i in 0..particles.high: + let part = particles[i] + totMass += part.mass + result += part.pos * part.mass + result = result / totMass + +let initCentreOfMass = getCentreOfMass() + +proc resetCentreOfMass() = + let cCentre = getCentreOfMass() + let delta = cCentre - initCentreOfMass + for i in 0..particles.high: + particles[i].pos -= delta + +var saveCounter = 0 + +while t < maxt: + block step: + # iterate through particles + for i in 0..particles.high: + let part = particles[i] + particles[i].pos = part.pos + part.vel * dt + dt * dt * 0.5 * part.acc + + for i in 0..particles.high: + let part = particles[i] + let newAcc = getForces(i) + let newVel = part.vel + (part.acc + newAcc) * (dt * 0.5) + particles[i].vel = newVel + particles[i].acc = newAcc + + # enforce boundary + for i in 0..particles.high: + keepInside(i) + inc saveCounter + if saveCounter >= saveInterval: + saveCounter = 0 + oupStatus() + t += dt + inc stabCounter + if stabCounter > stabInterval: + stabCounter = 0 + if stabilizeMassCentre: + resetCentreOfMass() + +# cleanup +f.close() \ No newline at end of file diff --git a/vis.nim b/vis.nim new file mode 100644 index 0000000..ec21997 --- /dev/null +++ b/vis.nim @@ -0,0 +1,254 @@ +import sdl2 +import sdl2/ttf + +import strutils +import linalg +import sequtils +import strformat +import os + +var filename = "output.txt" +if paramCount() > 0: + filename = paramStr(1) +let lines = filename.readFile().split('\n').filterIt(it.len() > 0) + +const + windowWidth = 1000 + windowHeight = 1000 + + ballRadius = 8 + textHeight = 35 + + # assumed to be in ratio with the win width/height + xMin = -50.0 + xMax = 50.0 + yMin = -50.0 + yMax = 50.0 + +type + Particle = object + pos: Vector + vel: Vector + name: string + +var lineN = 1 +proc parseLine(line: string, t: var float): seq[Particle] = + type + TokenType = enum + ttFloat, ttString + Token = object + lineN: int + case kind: TokenType: + of ttFloat: + floatVal: float + of ttString: + stringVal: string + + var + c = 1 + tokens: seq[Token] + + proc advance: char = + c.inc + line[c-1] + + proc peek: char = + if c > line.high(): + '\0' + else: + line[c] + + proc scanNum: float = + let start = c - 1 + while peek() in {'0'..'9'}: + discard advance() + if peek() == '.': + discard advance() + while peek() in {'0'..'9'}: + discard advance() + if peek() == 'e': + discard advance() + if peek() == '-' or peek() == '+': + discard advance() + while peek() in {'0'..'9'}: + discard advance() + return parseFloat(line[start..c-1]) + + proc scanIdent: string = + let start = c - 1 + while peek() in {'a' .. 'z'}: + discard advance() + return line[start..c-1] + + t = scanNum() + while c < line.len(): + case advance(): + of '-': + tokens.add(Token(lineN: lineN, kind: ttFloat, floatVal: scanNum())) + of '0'..'9': + tokens.add(Token(lineN: lineN, kind: ttFloat, floatVal: scanNum())) + of 'a' .. 'z': + tokens.add(Token(lineN: lineN, kind: ttString, stringVal: scanIdent())) + else: + discard #whitespace or [ or ] + + var i = 0 + while i < tokens.len(): + try: + let name = tokens[i].stringVal + let x = tokens[i+1].floatVal + let y = tokens[i+2].floatVal + let vx = tokens[i+3].floatVal + let vy = tokens[i+4].floatVal + i += 5 + result.add(Particle(name: name, pos: vector(x, y), vel: vector(vx, vy))) + except: + echo "parsing crashed on line" & $tokens[i].lineN + raise newException(Defect, "Parser crash") + + inc lineN + + +proc vec2scr(v: Vector, x, y: var cint) = + let xper = (v.x - xMin) / (xMax - xMin) + let yper = (v.y - yMin) / (yMax - yMin) + x = cint(xper * windowWidth) + y = cint(yper * windowHeight) + +# traces +var trace: array[2000, Vector] +var traceIndex = 0 + +proc drawRectAt(v: Vector, renderer: RendererPtr) = + trace[traceIndex] = v + traceIndex.inc() + if traceIndex > trace.high(): + traceIndex = 0 + # how many % of the screen it is at + var x, y: cint + vec2scr(v, x, y) + if x < ballRadius or y < ballRadius: + return + if x + ballRadius > windowWidth or y + ballRadius > windowHeight: + return + x -= ballRadius + y -= ballRadius + let size = cint(2 * ballRadius) + var r = rect(x, y, size, size) + renderer.fillRect(r) + +proc drawArrow(start: Vector, delta: Vector, renderer: RendererPtr) = + var x, y: cint + var ex, ey: cint + vec2scr(start, x, y) + vec2scr(start+delta, ex, ey) + renderer.drawLine(x, y, ex, ey) + +proc drawTrace(renderer: RendererPtr) = + var x, y: cint + for v in trace: + vec2scr(v, x, y) + renderer.drawPoint(x, y) + +proc draw(renderer: RendererPtr, font: FontPtr, frame: int, speed: int) = + let line = lines[frame] + var t = 0.0 + let parts = parseLine(line, t) + + renderer.setDrawColor(0, 0, 0, 255) + renderer.clear() + + renderer.setDrawColor(255, 255, 255, 255) + for i in 0..parts.high: + let part = parts[i] + part.pos.drawRectAt(renderer) + #part.pos.drawArrow(part.vel, renderer) + + renderer.setDrawColor(0, 0, 255, 255) + #renderer.drawTrace() + + let color = color(255, 255, 255, 0) + let text = &"t = {t:>09.2f} frame = {frame} speed = {speed}" + let surface = ttf.renderTextSolid(font, text, color) + let texture = renderer.createTextureFromSurface(surface) + surface.freeSurface() + defer: texture.destroy() + let textWidth: int = text.len() * int(float(textHeight) * 0.6) + var r = rect( + cint((windowWidth - textWidth) div 2), + 0, + cint(textWidth), + textHeight + ) + renderer.copy(texture, nil, addr r) + + renderer.present() + +type SDLException = object of Defect +template sdlFailIf(cond: bool, reason: string) = + if cond: + raise newException(SDLException, reason & ", SDL error " & $getError()) + +proc main = + + sdlFailIf(not sdl2.init(INIT_VIDEO or INIT_TIMER or INIT_EVENTS)): + "SDL2 init required" + defer: sdl2.quit() + + let win = createWindow( + title = "vis", + x = SDL_WINDOWPOS_CENTERED, + y = SDL_WINDOWPOS_CENTERED, + w = windowWidth, + h = windowHeight, + flags = SDL_WINDOW_SHOWN + ) + + sdlFailIf (win.isNil): "window couldn't be created" + defer: win.destroy() + + let renderer = createRenderer( + window = win, + index = -1, + flags = Renderer_Accelerated or Renderer_PresentVsync or Renderer_TargetTexture + ) + + sdlFailIf renderer.isNil: "renderer couldn't be created" + defer: renderer.destroy() + + sdlFailIf(not ttfInit()): "TTF init failed" + defer: ttfQuit() + + let font = ttf.openFont("FreeMono.ttf", textHeight) + sdlFailIf(font.isNil): "font couldn't be created" + + var + running = true + frame = 0 + speed = 1 + + while running: + var event = defaultEvent + while pollEvent(event): + case event.kind: + of QuitEvent: + running = false + break + of KeyDown: + if event.key.keysym.scancode == SDL_SCANCODE_UP: + speed *= 2 + elif event.key.keysym.scancode == SDL_SCANCODE_DOWN: + if speed > 1 or speed < -1: + speed = speed div 2 + elif event.key.keysym.scancode == SDL_SCANCODE_LEFT: + speed = -speed + else: + discard + frame += speed + if frame < 1: + frame = 1 + if frame > lines.high(): + frame = lines.high() + draw(renderer, font, frame, speed) + +main() \ No newline at end of file