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标题: 求助：AICD 3.0 无法输出图像 [打印本页]

作者
Author: MichaelLiu 时间: 2021-1-16 21:53
标题: 求助：AICD 3.0 无法输出图像
本帖最后由 MichaelLiu 于 2021-1-16 23:33 编辑

系统为ubuntu 20.04，安装在Win10下用VMWare建立的虚拟机里，log文件为用g09运行正常结束后产生的，povray和povchem都已经安装，但是在执行AICD软件包中的教程chapter 1的时候遇到了问题，按照教程中的命令输入后，povray无法顺利的生成图片，具体终端显示如下

michaelliu@ubuntu:~/ACID/tutorial-data$ AICD -m 2 -s -rot 0 90 0 -b -1 0 0 -runpov benzol.nmr.log
Processing file benzol.nmr.log...

1. Dateienpaar: benzol.nmr.icd40000 und benzol.nmr.pdb

Molekülinformationen:
6 0 0 0 2.6192
6 0 0 2.2677 1.3096
6 0 0 2.2677 -1.3096
6 0 0 0 -2.6192
6 0 0 -2.2677 -1.3096
6 0 0 -2.2677 1.3096
1 0 0 0 4.6525
1 0 0 4.0289 2.3263
1 0 0 4.0289 -2.3263
1 0 0 0 -4.6525
1 0 0 -4.0289 -2.3263
1 0 0 -4.0289 2.3263

0 = -2147483648 * -2147483648 * -2147483648
Grenzen:
0 <= Isotropie <= 0
0 <= Anisotropie <= 0
0.38199 <= X <= 0.38199
0 <= Y <= 0
0 <= Z <= 0

Cube-file wird geschrieben. Bitte warten.

1. Input-file: benzol.nmr.icd40000
0 = -2147483648 * -2147483648 * -2147483648
Grenzen:
0 <= Isotropie <= 0
0 <= Anisotropie <= 0
0.381989 <= X <= 0.381989
0 <= Y <= 0
0 <= Z <= 0

Punkte auf der Isooberfläche
Es wurden 0 Pfeile generiert.
Davon zeigen 0 in die Isooberfläche hinein (-nan%).

Mittelwert der Pfeillänge: -nan
Pfeilstatistik:
0  0  0  0  0  0  0  0  0  0  0  0
Dreiecke werden generiert. Bitte warten.
Neuberechnen der Normalen. Bitte warten.

Povray-input wird geschrieben. Bitte warten.
Ignored 0 arrows who are shorter than 0
Ignored 0 arrows who are longer than 1e+10
Bildgrenzen:
1e+38 <= Isotropie <= -1e+38
1e+38 <= Anisotropie <= -1e+38
1e+38 <= X <= -1e+38
1e+38 <= Y <= -1e+38
1e+38 <= Z <= -1e+38

Welcome to PovChem! This is version 1.00. For general
instructions see http://ludwig.scs.uiuc.edu/~paul/Manual.html

Read configuration file "/home/michaelliu/ACID/povchem/povchem.cfg".
Read periodic table "/home/michaelliu/ACID/povchem/periodic.tab".

Found 12 atoms...
...loaded into memory.
Wrote 12 spheres...
...and read 24 bonds into memory.

Wrote 0 single, 12 double, 0 triple, 0 higher order, and 0 hydrogen bonds.

benzol.nmr.inc created.
Writing color and atom definitions...
Writing bond definitions...
Pov header benzol.nmr.pov created.

Persistence of Vision(tm) Ray Tracer Version 3.7.0.8.unofficial (g++ @
x86_64-pc-linux-gnu)
This is an unofficial version compiled by:
Dimitri John Ledkov <xnox@ubuntu.com> for Debian <www.debian.org>
The POV-Ray Team is not responsible for supporting this version.

POV-Ray is based on DKBTrace 2.12 by David K. Buck & Aaron A. Collins
Copyright 1991-2013 Persistence of Vision Raytracer Pty. Ltd.

Primary POV-Ray 3.7 Architects/Developers: (Alphabetically)
  Chris Cason       Thorsten Froehlich  Christoph Lipka

With Assistance From: (Alphabetically)
  Nicolas Calimet    Jerome Grimbert    James Holsenback Christoph Hormann
  Nathan Kopp       Juha Nieminen

Past Contributors: (Alphabetically)
  Steve Anger       Eric Barish       Dieter Bayer       David K. Buck
  Nicolas Calimet    Chris Cason       Aaron A. Collins Chris Dailey
  Steve Demlow       Andreas Dilger    Alexander Enzmann Dan Farmer
  Thorsten Froehlich  Mark Gordon       James Holsenback Christoph Hormann
  Mike Hough       Chris Huff       Kari Kivisalo    Nathan Kopp
  Lutz Kretzschmar Christoph Lipka    Jochen Lippert    Pascal Massimino
  Jim McElhiney    Douglas Muir       Juha Nieminen    Ron Parker
  Bill Pulver       Eduard Schwan    Wlodzimierz Skiba Robert Skinner
  Yvo Smellenbergh Zsolt Szalavari    Scott Taylor       Massimo Valentini
  Timothy Wegner    Drew Wells       Chris Young

Other contributors are listed in the documentation.

Support libraries used by POV-Ray:
  ZLib 1.2.11, Copyright 1995-2012 Jean-loup Gailly and Mark Adler
  LibPNG 1.6.37, Copyright 1998-2012 Glenn Randers-Pehrson
  LibJPEG , Copyright 1991-2013 Thomas G. Lane, Guido Vollbeding
  LibTIFF 4.1.0, Copyright 1988-1997 Sam Leffler, 1991-1997 SGI
  Boost 1.71, http://www.boost.org/
  OpenEXR 2.3.0 and IlmBase 2.3.0, Copyright (c) 2002-2011 Industrial Light &
Magic.

Parser Options
  Input file: /tmp/AICD-Si4qsh.d/RenderMich.pov
  Remove bounds........On
  Split unions.........Off
  Library paths:
/usr/share/povray-3.7
/usr/share/povray-3.7/ini
/usr/share/povray-3.7/include
/tmp/AICD-Si4qsh.d
/usr/lib/povray3
/usr/lib/povray3/include
  Clock value: 0.000  (Animation off)
Image Output Options
  Image resolution.....1024 by 768 (rows 1 to 768, columns 1 to 1024).
  Output file..........benzol.nmr_40000_0.050_-1_0_0_symmaniso_4.2.png, 24 bpp
PNG
  Dithering............Off
  Graphic display......Off
  Mosaic preview.......Off
  Continued trace......Off
Information Output Options
  All Streams to console..........On
  Debug Stream to console.........On
  Fatal Stream to console.........On
  Render Stream to console........On
  Statistics Stream to console....On
  Warning Stream to console.......On
==== [Parsing...] ==========================================================
File '/tmp/AICD-Si4qsh.d/Isoober.inc' line 24: Parse Error: No triangles in
triangle mesh.
Fatal error in parser: Cannot parse input.
Render failed

Error while processing povray input

在加入参数-c保存产生的pov文件后，复制到win下的povray里也无法产生图片，打开Isoober.inc文件看有部分内容确实为空：
#declare Magnetfeldvektor=
union
{ cylinder { < 5,-0,-0 >,< -2.5,0,0 >,0.15 }
  cone { < -2.5,0,0 >,0.3,< -5,0,0 >,0.0 }
}
#declare Aufrufzeile=
text
{ ttf "timrom.ttf" "/home/michaelliu/ACID/AICD-smooth_isosurface -s -m 0 -x 10000000000 -- 0.050 -1 0 0 symmaniso benzol.nmr.icd40000 " 1, 0
  pigment { color Black }
}
#declare Legende=
union
{ cylinder { < 0,0.1,0 >,< 0.44096,0.1,0 >,0.0304 pigment { Green }}
  cone { < 0.44096,0.1,0 >,0.0608,< 0.52918,0.1,0 >,0 pigment { Red }}
  text
  { ttf "timrom.ttf" "entspricht -nan" 1, 0
pigment { color Black }
scale 0.33
translate < 0.7,0,0 >
  }
}
#declare Isooberflaeche =
mesh
{}

#declare Pfeile =
union
{}

求问应该如何解决，谢谢！

作者
Author: sobereva 时间: 2021-1-17 03:49
按照此文先试图重复出文中的图像
使用AICD 2.0绘制磁感应电流图
http://sobereva.com/294（http://bbs.keinsci.com/thread-1270-1-1.html）

作者
Author: MichaelLiu 时间: 2021-1-17 22:50

sobereva 发表于 2021-1-17 03:49
按照此文先试图重复出文中的图像
使用AICD 2.0绘制磁感应电流图
http://sobereva.com/294（http://bbs.ke ...

谢谢，问题已经解决，AICD 3.0和2.0都能顺利的运行了，现在就只是等值面不连续的问题需要解决，我再仔细看看这几个帖子

作者
Author: wangzhe 时间: 2021-1-18 08:05

MichaelLiu 发表于 2021-1-17 23:50
谢谢，问题已经解决，AICD 3.0和2.0都能顺利的运行了，现在就只是等值面不连续的问题需要解决，我再仔细 ...

isovalue过大导致的等值面不连续问题可以通过"-l"命令改小isovalue来解决

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