def dont_test_compare_ubs(self):
"""ISAWev does not take into account the goniometer angles when outputting the
UB matrix file. ISAW does. This compares the U and B matrices obtained from both.
"""
#0, np.pi/4, 0
c = Crystal("oxalic acid")
c.read_ISAW_ubmatrix_file("data/TOPAZ_1204.mat", angles=[0, np.pi/4, 0])
c2 = Crystal("oxalic acid from EV")
c2.read_ISAW_ubmatrix_file("data/TOPAZ_1204_ev.mat", angles=[0, 0, 0])
assert np.allclose(c.reciprocal_lattice, c2.reciprocal_lattice, atol=0.05), "B matrices match, roughly. %s vs %s" % (c.reciprocal_lattice, c2.reciprocal_lattice)
assert np.allclose(c.u_matrix, c2.u_matrix, atol=0.02), "U matrices match, roughly. %s vs %s" % (c.u_matrix, c2.u_matrix)
print "\n\n\n"
print c.u_matrix
print c2.u_matrix
def test_substructure_preservation(self):
""" Test that initializing a crystal with substructures preserves the substructures """
atoms = [Atom("Ag", [0, 0, 0]), Atom("Ag", [1, 1, 1])]
substructures = [AtomicStructure(atoms=[Atom("U", [0, 0, 0])])]
c = Crystal(unitcell=atoms + substructures, lattice_vectors=np.eye(3))
self.assertEqual(len(c), 3)
self.assertIn(substructures[0], c.substructures)
def test_substructure_preservation():
"""Test that initializing a crystal with substructures preserves the substructures"""
atoms = [Atom("Ag", [0, 0, 0]), Atom("Ag", [1, 1, 1])]
substructures = [AtomicStructure(atoms=[Atom("U", [0, 0, 0])])]
c = Crystal(unitcell=atoms + substructures, lattice_vectors=np.eye(3))
assert len(c) == 3
assert substructures[0] in c.substructures
def test_reciprocal_matrix2(self):
c = Crystal("oxalic acid")
c.lattice_angles_deg = np.fromstring("90.0 103.2 90.0", sep=' ')
c.lattice_lengths = np.fromstring("6.094 3.601 11.915", sep=' ')
c.calculate_reciprocal()
isaw_rec = np.fromstring(""" 1.031045 0.000000 0.000000
-0.000000 1.744845 0.000000
0.241829 -0.000000 0.54164""", sep=' ').reshape(3,3)
assert np.allclose(isaw_rec, c.reciprocal_lattice), "Reciprocal lattice of %s matches ISAW lattice." % c.name
def test_reciprocal_matrix1(self):
c = Crystal("quartz")
c.lattice_angles_deg = np.fromstring("90.0 90.0 120.0", sep=' ')
c.lattice_lengths = np.fromstring("4.913 4.913 5.400", sep=' ')
c.calculate_reciprocal()
isaw_rec = np.fromstring(""" 1.278890 0.000000 0.000000
0.738367 1.476735 -0.000000
-0.000000 -0.000000 1.163553""", sep=' ').reshape(3,3)
assert np.allclose(isaw_rec, c.reciprocal_lattice), "Reciprocal lattice of %s matches ISAW lattice." % c.name
def test_reciprocal_matrix4(self):
c = Crystal("Natrolite(conventional orthorhombic cell)")
c.lattice_angles_deg = np.fromstring("90.0 90.0 90.0", sep=' ')
c.lattice_lengths = np.fromstring("18.328 18.585 6.597", sep=' ')
c.calculate_reciprocal()
isaw_rec = np.fromstring(""" 0.342819 0.000000 0.000000
-0.000000 0.338078 0.000000
-0.000000 -0.000000 0.952431 """, sep=' ').reshape(3,3)
#print c.reciprocal_lattice, "\n\n\n"
assert np.allclose(isaw_rec, c.reciprocal_lattice, atol=1e-5), "Reciprocal lattice of %s matches ISAW lattice." % c.name
def test_reciprocal_matrix3(self):
c = Crystal("Natrolite(reduced cell)")
c.lattice_angles_deg = np.fromstring("83.5 70.5 70.2", sep=' ')
c.lattice_lengths = np.fromstring("6.601 9.739 9.893", sep=' ')
c.calculate_reciprocal()
isaw_rec = np.fromstring(""" 0.951854 -0.000000 0.000000
-0.342876 0.685738 0.000000
-0.336898 0.000033 0.673719 """, sep=' ').reshape(3,3)
#print c.reciprocal_lattice, "\n\n\n"
assert np.allclose(isaw_rec, c.reciprocal_lattice, atol=1e-3), "Reciprocal lattice of %s matches ISAW lattice." % c.name
def update():
global aPressed, gameMode, bPressed, cPressed, shuttleTimer, enemyTimer, bossTimer
global gameState, scoreCtr, score, highscore, shakeX, bulletCount, health, rockSizes, crystalSizes, enemyShipSizes, bossShipSizes
global upPressed, downPressed, leftPressed, rightPressed, explosionList, explosionFrames
global shuttle, enemyList, bulletList, dropList, bombs, bossList, spaceman, pauseGame
destroyScreen = False
shipHitShuttle = False
# Get screen shake amount (use on all x positions of objects!)
######################################
shakeX = shake.update()
if gameState != STATE_PAUSE:
# Update stars
######################################
for star in starList:
star.update()
# Update rocks
######################################
for boulders in rockList:
boulders.update(rockSizes)
######################################
# Game state
######################################
if gameState == STATE_GAME:
# Update the score for player survival
######################################
scoreCtr += 1
if scoreCtr % 10 == 0:
score += 1
if cPressed:
gameState = STATE_PAUSE
cPressed = False
# Bomb button
######################################
if bPressed:
bPressed = False
if bombs > 0:
bombs -= 1
destroyScreen = True
# Move player
######################################
shipXMove = 0
shipYMove = 0
if upPressed:
shipYMove = -2
if downPressed:
shipYMove = 2
if leftPressed:
shipXMove = -2
if rightPressed:
shipXMove = 2
player.movePlayer(shipXMove, shipYMove)
# Update player ship flames
######################################
for flame in flameList:
flame.update(player.getPlayerPos()[0], player.getPlayerPos()[1] + 20)
# Update drops
######################################
if len(dropList) > 0:
tmpCtr = 0
for dropItem in dropList:
# Delete drop if out of screen
if dropItem.update():
del dropList[tmpCtr]
break
# Check if player is over drop
if detectHit(player.getPlayerPos()[0] + 7, player.getPlayerPos()[1] + 7, dropItem.returnPos()[0] - 2, dropItem.returnPos()[1] - 2, 14):
# Health / green
if dropItem.getType() == 0:
audio.playSfx(sounds.health)
health = 10
# Extra bullet / orange
elif dropItem.getType() == 1:
audio.playSfx(sounds.extraBullet)
if bulletCount == 8:
bulletCount += 1
elif bulletCount < 8:
bulletCount += 2
# Explosion/bonus / blue
else:
audio.playSfx(sounds.bonus)
score += 100
if bombs < 10:
bombs += 1
del dropList[tmpCtr]
break
tmpCtr += 1
# Delete drop object
######################################
if tmpCtr > 0:
gc.collect()
# Check crystal collisions
######################################
if len(crystalList) > 0:
crystalCtr = 0
delCrystal = False
for crystal in crystalList:
crystal.update()
# Has player hit crystal?
if detectHit(player.getPlayerPos()[0] + 7, player.getPlayerPos()[1] + 7, crystal.returnPos()[0], crystal.returnPos()[1], crystal.getSize()):
del crystalList[crystalCtr]
delCrystal = True
score += 50
audio.playSfx(sounds.bonus)
if crystal.returnPos()[1] >= 100:
del crystalList[crystalCtr]
delCrystal = True
# Destroy if player bombed
if destroyScreen:
explosionList.append(Explosion(crystal.returnPos()[0], crystal.returnPos()[1], len(explosionFrames)))
del crystalList[crystalCtr]
delCrystal = True
crystalCtr += 1
if delCrystal:
gc.collect()
# Check to see if new crystals need to be spawned
######################################
if random.getrandbits(7) > 126:
tmpX = random.getrandbits(7)
spdX = random.getrandbits(1)
spdY = random.getrandbits(2)
if spdY == 0:
spdY = 1
crystalId = random.getrandbits(3)
# Only 6 crystals to choose from
if crystalId > 5:
crystalId = 0
crystalList.append(Crystal(tmpX, -20, spdX, spdY, crystalId, crystalSizes[crystalId]))
# Check rock collisions
######################################
for boulders in rockList:
if detectHit(player.getPlayerPos()[0] + 7, player.getPlayerPos()[1] + 7, boulders.returnPos()[0], boulders.returnPos()[1], boulders.getSize()) and not shake.isShaking():
shake.setShake()
explosionList.append(Explosion(boulders.returnPos()[0], boulders.returnPos()[1], len(explosionFrames)))
boulders.resetYPos(rockSizes) # Reset as if it has exploded
health -= 1
audio.playSfx(sounds.explosion01)
if health <= 0:
gameState = STATE_GAMEOVER
audio.playSfx(sounds.gameOver)
# Destroy if player bombed
if destroyScreen:
shake.setShake()
explosionList.append(Explosion(boulders.returnPos()[0], boulders.returnPos()[1], len(explosionFrames)))
boulders.resetYPos(rockSizes)
# Update explosion
######################################
if len(explosionList) > 0:
tmpId = 0
tmpCtr = 0
for explody in explosionList:
tmpId += 1
if explody.getFrame() >= len(explosionFrames):
tmpCtr = tmpId
break
explody.update()
# Delete explosion object
######################################
if tmpCtr > 0:
del explosionList[tmpCtr - 1]
gc.collect()
# Create random shuttle
######################################
if scoreCtr % shuttleTimer == 0:
if random.getrandbits(1) == 1:
shuttle[2] = True
# Update shuttle
######################################
if shuttle[2]:
shuttle[1] += 1
if destroyScreen:
explosionList.append(Explosion(shuttle[0], shuttle[1], len(explosionFrames)))
audio.playSfx(sounds.explosion01)
# Spawn drop
dropList.append(Drop(shuttle[0], shuttle[1]))
# Check if player ship hit shuttle
if detectHit(player.getPlayerPos()[0] + 7, player.getPlayerPos()[1] + 7, shuttle[0], shuttle[1], 10):
explosionList.append(Explosion(shuttle[0], shuttle[1], len(explosionFrames)))
audio.playSfx(sounds.explosion01)
# Spawn drop
dropList.append(Drop(shuttle[0], shuttle[1]))
shipHitShuttle = True
health -= 1
if health <= 0:
gameState = STATE_GAMEOVER
audio.playSfx(sounds.gameOver)
if shuttle[1] > 90 or destroyScreen or shipHitShuttle:
shuttle[2] = False # Hide it
shuttle[1] = -30 # Set y pos to top
shuttle[0] = random.getrandbits(7) # Random x pos
# Update spaceman
######################################
if spaceman[2]:
spcX = 0
spcY = 0
# Check if player caught him
if detectHit(player.getPlayerPos()[0] + 7, player.getPlayerPos()[1] + 7, spaceman[0], spaceman[1], 12):
score += 50
audio.playSfx(sounds.dropItem)
# Reset him
spaceman = [0, 0, False]
# Move him down
if spaceman[0] > -12 and spaceman[0] < 122:
if spaceman[1] > -12 and spaceman[1] < 100:
spcX = random.getrandbits(3)
spcY = random.getrandbits(3)
if spcX < 3:
spcX = -1
else:
spcX = 1
if spcY < 3:
spcY = -1
else:
spcY = 1
spaceman[0] += spcX
spaceman[1] += spcY
# disappear him if needed
if spaceman[0] < 0 or spaceman[0] > 110:
if spaceman[1] < 0 or spaceman[1] > 88:
spaceman = [0, 0, False]
# Then update enemies
######################################
if len(enemyList) > 0:
tmpId = 0
tmpCtr = 0
for en in enemyList:
tmpId += 1
# Check if enemy can shoot
if en.update():
# Horizontal enemy
if en.getSize() == 0:
if en.returnPos()[0] > 0:
bulletList.append(Bullet(en.returnPos()[0] + 4, en.returnPos()[1] + 15, 0, 2, 1))
audio.playSfx(sounds.enemyShot)
# All others
else:
if en.returnPos()[1] > 0:
bulletList.append(Bullet(en.returnPos()[0] + 4, en.returnPos()[1] + 15, -1, 2, 2))
bulletList.append(Bullet(en.returnPos()[0] + 4, en.returnPos()[1] + 15, 1, 2, 2))
audio.playSfx(sounds.enemyShot)
# Is enemy out of the screen yet?
if en.outOfScreen():
tmpCtr = tmpId
break
if destroyScreen:
explosionList.append(Explosion(en.returnPos()[0], en.returnPos()[1], len(explosionFrames)))
# Spawn drop
dropList.append(Drop(en.returnPos()[0], en.returnPos()[1]))
del enemyList[tmpCtr - 1]
# Delete enemy object
######################################
if tmpCtr > 0:
del enemyList[tmpCtr - 1]
gc.collect()
# Create random enemies
######################################
if scoreCtr % enemyTimer == 0:
if len(enemyList) > 3:
enemyListTmp = enemyList[len(enemyList) - 1]
enemyList = [enemyListTmp]
else:
enemyList.append(Enemy())
# Create random bosses
######################################
if len(bossList) > 0:
tmpId = 0
tmpCtr = 0
for boss in bossList:
tmpId += 1
bossId = boss.getId()
bossX = boss.returnPos()[0]
bossY = boss.returnPos()[1]
# Check if enemy can shoot
if boss.update():
# Horizontal enemy
if boss.getId() == 0 or boss.getId() == 2:
if boss.returnPos()[0] > 0:
bulletList.append(Bullet(bossX + (bossShipSizes[bossId] // 2), bossY + 17, 0, 2, bossId + 1))
audio.playSfx(sounds.enemyShot)
# All others
else:
if boss.returnPos()[1] > 0:
bulletList.append(Bullet(bossX + (bossShipSizes[bossId] // 2), bossY + 17, -1, 2, bossId + 1))
bulletList.append(Bullet(bossX + (bossShipSizes[bossId] // 2), bossY + 17, 1, 2, bossId + 1))
audio.playSfx(sounds.enemyShot)
# Is enemy out of the screen yet?
if boss.outOfScreen():
tmpCtr = tmpId
break
if destroyScreen:
explosionList.append(Explosion(boss.returnPos()[0], boss.returnPos()[1], len(explosionFrames)))
# Spawn drop
dropList.append(Drop(boss.returnPos()[0], boss.returnPos()[1]))
del bossList[tmpCtr - 1]
# Delete enemy object
######################################
if tmpCtr > 0:
del bossList[tmpCtr - 1]
gc.collect()
# Create random bosses
######################################
if scoreCtr % bossTimer == 0:
if len(bossList) > 1:
bossListTmp = bossList[len(bossList) - 1]
bossList = [bossListTmp]
else:
bossList.append(Boss())
# Fire button
######################################
if aPressed:
aPressed = False
if bulletCount > 0:
bulletList.append(Bullet(player.getPlayerPos()[0] + 5, player.getPlayerPos()[1], 0, -3, 0))
bulletCount -= 1
audio.playSfx(sounds.playerShot)
# Update bullet positions
######################################
if len(bulletList) > 0:
tmpId = 0
tmpCtr = 0
for bul in bulletList:
tmpId += 1
bullX = bul.returnPos()[0] + 3
bullY = bul.returnPos()[1] + 2
bullId = bul.getId()
# Check bullet collisions
######################################
# Check against shuttle
if detectHit(bullX, bullY, shuttle[0], shuttle[1], 10) and bullId == 0:
explosionList.append(Explosion(shuttle[0], shuttle[1], len(explosionFrames)))
# Spawn drop
dropList.append(Drop(shuttle[0], shuttle[1]))
# Spawn spaceman
spaceman[0] = shuttle[0]
spaceman[1] = shuttle[1]
spaceman[2] = True
# Reset shuttle
shuttle[2] = False # Hide it
shuttle[1] = -20 # Set y pos to top
shuttle[0] = random.getrandbits(7) # Random x pos
tmpCtr = tmpId # Kill this bullet
audio.playSfx(sounds.explosion01) # Explosion
break
# Check against enemies
######################################
tmpId2 = 0
tmpCtr2 = 0
for en in enemyList:
tmpId2 += 1
enX = en.returnPos()[0]
enY = en.returnPos()[1]
if detectHit(bullX, bullY, enX, enY, enemyShipSizes[en.getSize()]) and bullId == 0:
explosionList.append(Explosion(enX, enY, len(explosionFrames)))
tmpCtr = tmpId # Kill this bullet
tmpCtr2 = tmpId2 # Kill this enemy
audio.playSfx(sounds.explosion01) # Explosion
# Spawn drop
dropList.append(Drop(enX, enY))
break
# Delete enemy object
######################################
if tmpCtr2 > 0:
del enemyList[tmpCtr2 - 1]
# Check against bosses
######################################
tmpId3 = 0
tmpCtr3 = 0
for boss in bossList:
tmpId3 += 1
bossId = boss.getId()
bossX = boss.returnPos()[0]
bossY = boss.returnPos()[1]
if detectHit(bullX, bullY, bossX, bossY, bossShipSizes[bossId]) and bullId == 0:
explosionList.append(Explosion(bossX + (bossShipSizes[bossId] // 2), bossY + 10, len(explosionFrames)))
tmpCtr = tmpId # Kill this bullet
# Check boss hitpoints
if boss.getHitPoints() > 0:
boss.addHitPoint(1)
else:
tmpCtr3 = tmpId3 # Kill this boss
audio.playSfx(sounds.explosion01) # Explosion
# Spawn drop
dropList.append(Drop(bossX + (bossShipSizes[bossId] // 2), bossY + 10))
break
# Delete boss object
######################################
if tmpCtr3 > 0:
del bossList[tmpCtr3 - 1]
# Check against rocks
######################################
for boulders in rockList:
boulderX = boulders.returnPos()[0]
boulderY = boulders.returnPos()[1]
if detectHit(bullX, bullY, boulderX, boulderY, boulders.getSize()) and bullId == 0:
explosionList.append(Explosion(boulderX, boulderY, len(explosionFrames)))
tmpCtr = tmpId # Kill this bullet
boulders.resetYPos(rockSizes) # Reset as if it has exploded
audio.playSfx(sounds.explosion01) # Explosion
break
# Check against player
######################################
if detectHit(bullX, bullY, player.getPlayerPos()[0], player.getPlayerPos()[1], 16) and not shake.isShaking() and bullId != 0:
shake.setShake()
explosionList.append(Explosion(player.getPlayerPos()[0] + 7, player.getPlayerPos()[1] + 7, len(explosionFrames)))
audio.playSfx(sounds.explosion01) # Explosion
health -= 1
if health <= 0:
gameState = STATE_GAMEOVER
audio.playSfx(sounds.gameOver) # Explosion
# Check if bullet is out of screen bounds
######################################
if bul.update():
tmpCtr = tmpId
break
# Delete bullet object
######################################
if tmpCtr > 0:
del bulletList[tmpCtr - 1]
gc.collect()
# Slowly speed up object timers to make game harder over time
######################################
if scoreCtr % 80 == 0:
if enemyTimer > 100:
enemyTimer -= 1
if bossTimer > 200:
bossTimer -=1
######################################
# PAUSE
######################################
if gameState == STATE_PAUSE:
if cPressed:
cPressed = False
gameState = STATE_GAME
######################################
# Game over state
######################################
if gameState == STATE_GAMEOVER:
# Save score if more than highscore
if score > highscore:
updateScore("save", score)
highscore = score
if cPressed:
cPressed = False
gameState = STATE_MENU
# Create rocks
for i in range(6):
tmpX = random.getrandbits(7)
tmpY = random.getrandbits(6)
spdX = random.getrandbits(1)
spdY = random.getrandbits(2)
if spdY == 0:
spdY = 1
rockId = random.getrandbits(3)
# Only 5 rocks to choose from
if rockId > 4:
rockId = 0
rockList.append(Object(tmpX, tmpY, spdX, spdY, rockId, rockSizes[rockId]))
# Create an initial crystal object
crystalList.append(Crystal(50, -20, 0, 1, 0, crystalSizes[0]))
#print ("free",gc.mem_free())
# Start music
audio.playMusic(gameSong)
# save/load highscore to EEPROM
def updateScore(action, val):
if action == "save":
data = val.to_bytes(3,'big')
for i in range(len(data)): myCookieData[i]=data[i]
# Save myCookieData to EEPROM.
myCookie.save()
if action == "load":
from crystals import Crystal,Atom,symmetry_expansion,write_xyz
# import rotating_crystal as rcc; imp.reload(rcc)
cif='225.cif' #201(SC), 212,225,229
lattice_vectors = np.diag([2,2,2])
cCIF = Crystal.from_cif('../dat/Carbone_SC/'+cif)
# cCIF = Crystal.from_database('Fe')
syms = cCIF.symmetry_operations()
atoms = [Atom(z, c) for z,c in zip(['C','C','C'], [[0.5,0.5,0],[0,0.5,0.5],[0.5,0.,0.5]]) ]
# atoms = [Atom('C', [0.5,0.5,1])]
# atoms = [Atom('C', [1.,1.,1.])]
syms4 = [ np.hstack([np.vstack([s[0],[0,0,0]]), np.vstack([s[1][:,None],1]) ]) for s in syms]
unitcell = symmetry_expansion(atoms,syms4)
C = Crystal(unitcell, lattice_vectors)
print('international_number:', cCIF.symmetry()['international_number'])
print('international_number:', C.symmetry()['international_number'])
print(C)
# write_xyz(C,'test.xyz')
